6091
  -OEChem-05082405122D

 42 43  0     0  0  0  0  0  0999 V2000
    6.2781    0.9335    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -2.7833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674   -0.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -0.2233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2566    1.1397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6103    1.6778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.1738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5673    2.0902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9209    2.6283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.4785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.4785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -1.9785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5458    2.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2531    3.3726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.9785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.9785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.4785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.4785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9880   -0.6367    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5812   -0.1044    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9684    0.3964    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3751   -0.1359    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2772    0.5200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8704    1.0523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0633    1.9698    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2277    1.1899    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5467    2.7099    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9534    2.1776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4678    2.3363    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3035    3.1162    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8819   -1.9785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709   -3.3726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6736    1.6898    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1524    2.4243    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4179    2.9031    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7145    3.7866    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8390    3.8340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7916    2.9585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.5985    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.1685    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.7885    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  2 11  1  0  0  0  0
  2 12  1  0  0  0  0
  2 32  1  0  0  0  0
  3  4  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4  7  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5  8  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6  9  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7 10  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 14  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  2  0  0  0  0
 12 31  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
 15 17  1  0  0  0  0
 15 39  1  0  0  0  0
 16 18  1  0  0  0  0
 16 40  1  0  0  0  0
 17 18  2  0  0  0  0
 17 41  1  0  0  0  0
 18 42  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
6091

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
223

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7AAAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgB8AAAHAAQAAAADAjBHgQ+wPPJkACgAzRnRACCgCAxAiAI2aA4ZJgIIOLAkZGEIAhgkADIyAcQgMAOgAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[2-(1H-indol-3-yl)ethyl]-N-propyl-propan-1-amine

> <PUBCHEM_IUPAC_CAS_NAME>
N-[2-(1H-indol-3-yl)ethyl]-N-propyl-1-propanamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[2-(1<I>H</I>-indol-3-yl)ethyl]-<I>N</I>-propylpropan-1-amine

> <PUBCHEM_IUPAC_NAME>
N-[2-(1H-indol-3-yl)ethyl]-N-propylpropan-1-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[2-(1H-indol-3-yl)ethyl]-N-propyl-propan-1-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(1H-indol-3-yl)ethyl-dipropyl-amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H24N2/c1-3-10-18(11-4-2)12-9-14-13-17-16-8-6-5-7-15(14)16/h5-8,13,17H,3-4,9-12H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
BOOQTIHIKDDPRW-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
4.3

> <PUBCHEM_EXACT_MASS>
244.193948774

> <PUBCHEM_MOLECULAR_FORMULA>
C16H24N2

> <PUBCHEM_MOLECULAR_WEIGHT>
244.37

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCN(CCC)CCC1=CNC2=CC=CC=C21

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCN(CCC)CCC1=CNC2=CC=CC=C21

> <PUBCHEM_CACTVS_TPSA>
19

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
244.193948774

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
18

> <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>
11

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  11  8
10  15  8
11  16  8
15  17  8
16  18  8
17  18  8
2  11  8
2  12  8
7  10  8
7  12  8

$$$$