69911046
  -OEChem-04252423572D

 56 56  0     1  0  0  0  0  0999 V2000
    6.3301    2.9728    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8301    4.5117    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8334    3.9207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.4728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.0272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.4728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.9728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.5272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0902    3.2516    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.1391    3.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2981    2.2734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2492    1.9644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.0272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5211    3.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4571    0.9863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.0272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8301    4.5117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4081    0.6773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.5272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762   -0.1098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747    0.5805    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860    0.5554    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -0.1348    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520    2.0554    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535    1.3652    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -1.6098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -0.9195    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422    1.3902    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407    2.0805    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -0.9446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -1.6348    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9613    3.8580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -3.1098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -2.4195    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6785    2.2518    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2118    1.6595    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8688    1.9861    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3355    2.5784    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -2.4446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -3.1348    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9315    3.3690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8375    0.9646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3708    0.3723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0781   -4.6098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4766   -3.9195    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4230    3.7291    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7044    4.5272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4657    5.0133    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2165    0.0876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9978    0.4857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5997    1.2669    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -3.9902    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -4.8372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -5.0641    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 11  1  0  0  0  0
  1 16  1  0  0  0  0
  2 11  2  0  0  0  0
  2 19  1  0  0  0  0
  3 10  1  0  0  0  0
  3 48  1  0  0  0  0
  3 49  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5  7  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6  8  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7  9  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 12  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 10 34  1  0  0  0  0
 12 15  1  0  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 14  1  0  0  0  0
 13 37  1  0  0  0  0
 13 38  1  0  0  0  0
 14 17  1  0  0  0  0
 14 39  1  0  0  0  0
 14 40  1  0  0  0  0
 15 18  1  0  0  0  0
 15 41  1  0  0  0  0
 15 42  1  0  0  0  0
 16 19  2  0  0  0  0
 16 43  1  0  0  0  0
 17 20  1  0  0  0  0
 17 44  1  0  0  0  0
 17 45  1  0  0  0  0
 18 21  1  0  0  0  0
 18 46  1  0  0  0  0
 18 47  1  0  0  0  0
 19 50  1  0  0  0  0
 20 51  1  0  0  0  0
 20 52  1  0  0  0  0
 20 53  1  0  0  0  0
 21 54  1  0  0  0  0
 21 55  1  0  0  0  0
 21 56  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
69911046

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
233

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
13

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7AAAAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAABgAAAHAAQAAAACCjBAwQvkBdMEACgABInZAAAgC0REqAJQIA4MACASAIAiAAUAAAIEAKAACEQgIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-(1-decylimidazol-2-yl)pentan-1-amine

> <PUBCHEM_IUPAC_CAS_NAME>
1-(1-decyl-2-imidazolyl)-1-pentanamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-(1-decylimidazol-2-yl)pentan-1-amine

> <PUBCHEM_IUPAC_NAME>
1-(1-decylimidazol-2-yl)pentan-1-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-(1-decylimidazol-2-yl)pentan-1-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-(1-decylimidazol-2-yl)pentylamine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H35N3/c1-3-5-7-8-9-10-11-12-15-21-16-14-20-18(21)17(19)13-6-4-2/h14,16-17H,3-13,15,19H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
LMIZQANVRJRBCM-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5.2

> <PUBCHEM_EXACT_MASS>
293.283098129

> <PUBCHEM_MOLECULAR_FORMULA>
C18H35N3

> <PUBCHEM_MOLECULAR_WEIGHT>
293.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCCCCCN1C=CN=C1C(CCCC)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCCCCCN1C=CN=C1C(CCCC)N

> <PUBCHEM_CACTVS_TPSA>
43.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
293.283098129

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
1  11  8
1  16  8
16  19  8
2  11  8
2  19  8
10  3  3

$$$$