824845
  -OEChem-04252412312D

 33 34  0     1  0  0  0  0  0999 V2000
    6.2781    1.5747    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    4.6783   -2.1421    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    0.4179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674    0.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.8373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.8373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -1.3373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2566    1.7809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6103    2.3190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.3373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5673    2.7314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.8373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9684    1.0376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3751    0.5053    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9880    0.0045    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5812    0.5368    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8819   -1.3373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2772    1.1612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8704    1.6935    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709   -2.7314    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0717    2.7330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962    2.7804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1488    1.9049    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2827    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.9573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1566    2.5388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7599    3.3207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9780    2.9240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.5273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.1473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  9  1  0  0  0  0
  1 11  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  2 23  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  2  0  0  0  0
  6  7  1  0  0  0  0
  6 10  2  0  0  0  0
  7 12  2  0  0  0  0
  8 20  1  0  0  0  0
  9 13  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 14  1  0  0  0  0
 10 27  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 12 15  1  0  0  0  0
 12 28  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 15  2  0  0  0  0
 14 32  1  0  0  0  0
 15 33  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
824845

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
193

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzAAAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgB8AAAHAAQAAAADAjBHgQ+wPPJkACgAzRnRACCgCAxAiAI2aA4ZJgIIOLAkZGEIAhgkADIyAcQgMAOgAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-ethyl-2-(1H-indol-3-yl)-N-methyl-ethanamine

> <PUBCHEM_IUPAC_CAS_NAME>
N-ethyl-2-(1H-indol-3-yl)-N-methylethanamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-ethyl-2-(1<I>H</I>-indol-3-yl)-<I>N</I>-methylethanamine

> <PUBCHEM_IUPAC_NAME>
N-ethyl-2-(1H-indol-3-yl)-N-methylethanamine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-ethyl-2-(1H-indol-3-yl)-N-methyl-ethanamine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
ethyl-[2-(1H-indol-3-yl)ethyl]-methyl-amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C13H18N2/c1-3-15(2)9-8-11-10-14-13-7-5-4-6-12(11)13/h4-7,10,14H,3,8-9H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
MYEGVMLMDWYPOA-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
2.9

> <PUBCHEM_EXACT_MASS>
202.146998583

> <PUBCHEM_MOLECULAR_FORMULA>
C13H18N2

> <PUBCHEM_MOLECULAR_WEIGHT>
202.30

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCN(C)CCC1=CNC2=CC=CC=C21

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCN(C)CCC1=CNC2=CC=CC=C21

> <PUBCHEM_CACTVS_TPSA>
19

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
202.146998583

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <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>
10  14  8
12  15  8
14  15  8
2  7  8
2  8  8
5  6  8
5  8  8
6  10  8
6  7  8
7  12  8

$$$$