28425
  -OEChem-05122413102D

 38 41  0     0  0  0  0  0  0999 V2000
    5.8616   -1.5108    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4133    0.1622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6721    1.1281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4355    1.9768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3015    2.4768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8122   -0.3466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0406   -0.4298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0711    0.6193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6986    0.5099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1545   -0.8037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5373   -1.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3834   -1.2380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0729    0.9044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6757    0.7065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5455   -0.8326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3563   -1.0650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8151    0.1735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6028   -2.4768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1278    1.5485    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1308    2.5167    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8926    1.6773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8832    2.6913    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0383    3.0381    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5926   -0.5417    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7989   -1.3116    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3700   -1.6914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6022   -1.8181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2264    1.5051    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4704    1.2916    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4605   -1.3504    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9822   -1.2727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9596   -1.5415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4134    0.3363    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3898    0.0238    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0039   -2.3163    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4423   -3.0756    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2016   -2.6372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 19  1  0  0  0  0
  1 31  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 10  1  0  0  0  0
  3  5  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 20  1  0  0  0  0
  4  5  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  2  0  0  0  0
  7  9  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  2  0  0  0  0
  9 14  2  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 15  1  0  0  0  0
 11 27  1  0  0  0  0
 12 16  1  0  0  0  0
 12 28  1  0  0  0  0
 13 17  1  0  0  0  0
 13 29  1  0  0  0  0
 14 18  1  0  0  0  0
 14 30  1  0  0  0  0
 15 17  2  0  0  0  0
 15 32  1  0  0  0  0
 16 18  2  0  0  0  0
 16 33  1  0  0  0  0
 17 34  1  0  0  0  0
 18 35  1  0  0  0  0
 19 36  1  0  0  0  0
 19 37  1  0  0  0  0
 19 38  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
28425

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
313

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB6AAAAAAAAAAAAAAAAAAAAAAAAAAAwYMGDAAAAAADBQAAAHAAQAAAADwDBGAQyAILAAACAAiBCAAACAAAgAAAIiIAIAIgIICKAkRGEIAAggAAIiAcQgMAPgAAAAAAQAACAAAQAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-methyl-1-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)methanamine

> <PUBCHEM_IUPAC_CAS_NAME>
N-methyl-1-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)methanamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-methyl-1-(1-tetracyclo[6.6.2.0<SUP>2,7</SUP>.0<SUP>9,14</SUP>]hexadeca-2,4,6,9,11,13-hexaenyl)methanamine

> <PUBCHEM_IUPAC_NAME>
N-methyl-1-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)methanamine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-methyl-1-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)methanamine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
methyl(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H19N/c1-19-12-18-11-10-13(14-6-2-4-8-16(14)18)15-7-3-5-9-17(15)18/h2-9,13,19H,10-12H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
GNRXCIONJWKSEA-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.7

> <PUBCHEM_EXACT_MASS>
249.151749610

> <PUBCHEM_MOLECULAR_FORMULA>
C18H19N

> <PUBCHEM_MOLECULAR_WEIGHT>
249.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
CNCC12CCC(C3=CC=CC=C31)C4=CC=CC=C24

> <PUBCHEM_OPENEYE_ISO_SMILES>
CNCC12CCC(C3=CC=CC=C31)C4=CC=CC=C24

> <PUBCHEM_CACTVS_TPSA>
12

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
249.151749610

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <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>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  15  8
12  16  8
13  17  8
14  18  8
15  17  8
16  18  8
6  11  8
6  8  8
7  12  8
7  9  8
8  13  8
9  14  8

$$$$