9793868
  -OEChem-05062402582D

 26 26  0     0  0  0  0  0  0999 V2000
    8.4813   -0.8273    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5896    0.8408    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9813    0.7116    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9781    0.1206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0270   -0.1884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7212   -0.5485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2839    0.4807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6723   -0.2395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3328    0.1717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9813    0.7116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2903   -0.2395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4666    0.5023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6870    0.6680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5384   -0.5701    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3181   -0.7358    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2326   -0.9302    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0123   -1.0960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7724    0.8624    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9928    1.0281    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8442   -0.2100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6239   -0.3757    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4813   -1.4473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6168    1.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.6492    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7186    1.4473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8799   -0.4311    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 22  1  0  0  0  0
  2  9  1  0  0  0  0
  2 24  1  0  0  0  0
  2 25  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5  7  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6  8  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7  9  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 10  2  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 23  1  0  0  0  0
 11 26  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
9793868

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
95.3

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzAAAAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAABgAAAHAAQAAAACAjBFgQtkBbJkACgARRnZAAAgC2xEqABUYA4cAiAaAJAmQCUAAAIkAJAQCEQgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-(1H-imidazol-5-yl)pentan-1-amine

> <PUBCHEM_IUPAC_CAS_NAME>
5-(1H-imidazol-5-yl)-1-pentanamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-(1<I>H</I>-imidazol-5-yl)pentan-1-amine

> <PUBCHEM_IUPAC_NAME>
5-(1H-imidazol-5-yl)pentan-1-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-(1H-imidazol-5-yl)pentan-1-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-(1H-imidazol-5-yl)pentylamine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C8H15N3/c9-5-3-1-2-4-8-6-10-7-11-8/h6-7H,1-5,9H2,(H,10,11)

> <PUBCHEM_IUPAC_INCHIKEY>
MZCJWLAXZRFUPI-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
0.5

> <PUBCHEM_EXACT_MASS>
153.126597491

> <PUBCHEM_MOLECULAR_FORMULA>
C8H15N3

> <PUBCHEM_MOLECULAR_WEIGHT>
153.22

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=C(NC=N1)CCCCCN

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=C(NC=N1)CCCCCN

> <PUBCHEM_CACTVS_TPSA>
54.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
153.126597491

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
11

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <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>
2

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
1  11  8
1  8  8
3  10  8
3  11  8
8  10  8

$$$$