14964398
  -OEChem-05122414552D

 33 34  0     1  0  0  0  0  0999 V2000
    2.5369   -0.7073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7610   -0.7420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6671   -0.2281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6671    0.8135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7610    1.3273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.2073    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.4030    0.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3564   -1.2118    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1546   -1.2210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8761   -0.8118    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2779   -0.1221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2779    0.7074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8761    1.3972    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1546    1.8064    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3564    1.7971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.3273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705   -1.1823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675   -1.1823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.9127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.8273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.1027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0230    0.7927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.4127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7830    0.7927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.3273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  2  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6  7  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 12  1  0  0  0  0
  9 23  1  0  0  0  0
 10 13  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 12  2  0  0  0  0
 11 26  1  0  0  0  0
 12 28  1  0  0  0  0
 13 14  1  0  0  0  0
 13 27  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
14964398

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
178

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceByAAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAADBAAAAHAAQAAAADCjBGAQyAIBAAACAAiBCAAACAAAgAAAIiIAAAIgIICKAkRGAIAAgkAAIiAcQgMAOwAACAAAQAACAAAQAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-tetralin-6-ylpropan-2-amine

> <PUBCHEM_IUPAC_CAS_NAME>
1-(5,6,7,8-tetrahydronaphthalen-2-yl)-2-propanamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-amine

> <PUBCHEM_IUPAC_NAME>
1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1-methyl-2-tetralin-6-yl-ethyl)amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C13H19N/c1-10(14)8-11-6-7-12-4-2-3-5-13(12)9-11/h6-7,9-10H,2-5,8,14H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
UTVKUFYOPJCDPE-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.1

> <PUBCHEM_EXACT_MASS>
189.151749610

> <PUBCHEM_MOLECULAR_FORMULA>
C13H19N

> <PUBCHEM_MOLECULAR_WEIGHT>
189.30

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(CC1=CC2=C(CCCC2)C=C1)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(CC1=CC2=C(CCCC2)C=C1)N

> <PUBCHEM_CACTVS_TPSA>
26

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
189.151749610

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
14

> <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>
13  1  3
11  12  8
2  7  8
2  9  8
7  11  8
8  12  8
8  9  8

$$$$