2895
  -OEChem-04252420532D

 42 44  0     0  0  0  0  0  0999 V2000
    3.1509   -2.0953    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8830    0.9047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9820    1.3386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7840    1.3385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0170   -0.5953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8830   -0.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0169   -1.5953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7595    2.3135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0065    2.3135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3830    3.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3830    3.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2295    0.6184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5365    0.6184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7690    2.6358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9970    2.6358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2318    0.9177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5342    0.9177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7660    1.9332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1509   -3.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2849   -1.5953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8049   -0.0127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4064   -0.7030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4199   -0.4053    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2290   -2.1779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6275   -1.4877    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1140    3.6539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6520    3.6539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3744    0.0156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3916    0.0155    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6380    3.2418    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1280    3.2418    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7789    0.4943    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9871    0.4942    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4083    2.1183    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3578    2.1182    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5309   -3.0953    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1509   -3.7153    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7709   -3.0953    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5949   -1.0584    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7480   -1.2853    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9749   -2.1322    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  2  0  0  0  0
  3  8  1  0  0  0  0
  3 12  2  0  0  0  0
  4  9  1  0  0  0  0
  4 13  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 10  1  0  0  0  0
  8 14  2  0  0  0  0
  9 11  1  0  0  0  0
  9 15  2  0  0  0  0
 10 11  2  0  0  0  0
 10 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 16  1  0  0  0  0
 12 29  1  0  0  0  0
 13 17  1  0  0  0  0
 13 30  1  0  0  0  0
 14 18  1  0  0  0  0
 14 31  1  0  0  0  0
 15 19  1  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 19  2  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
 20 37  1  0  0  0  0
 20 38  1  0  0  0  0
 20 39  1  0  0  0  0
 21 40  1  0  0  0  0
 21 41  1  0  0  0  0
 21 42  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
2895

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
365

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB6AAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAABAAAAAABQAAAHAAAAAAADADBGAQyAIMAAACAAiBCAAACAAAgAAAIiAAIAIgIICKAERCEIAAggAAIiAcAgMAOgAAAAAAQAAAAAAAAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)propan-1-amine

> <PUBCHEM_IUPAC_CAS_NAME>
N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)-1-propanamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>,<I>N</I>-dimethyl-3-(2-tricyclo[9.4.0.0<SUP>3,8</SUP>]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)propan-1-amine

> <PUBCHEM_IUPAC_NAME>
N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)propan-1-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)propan-1-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
dimethyl-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)propyl]amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H21N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-14H,7,15H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
JURKNVYFZMSNLP-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
5.2

> <PUBCHEM_EXACT_MASS>
275.167399674

> <PUBCHEM_MOLECULAR_FORMULA>
C20H21N

> <PUBCHEM_MOLECULAR_WEIGHT>
275.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN(C)CCC=C1C2=CC=CC=C2C=CC3=CC=CC=C31

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN(C)CCC=C1C2=CC=CC=C2C=CC3=CC=CC=C31

> <PUBCHEM_CACTVS_TPSA>
3.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
275.167399674

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <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>
12  16  8
13  17  8
14  18  8
15  19  8
16  18  8
17  19  8
3  12  8
3  8  8
4  13  8
4  9  8
8  14  8
9  15  8

$$$$