26903
  -OEChem-05132409282D

 42 43  0     0  0  0  0  0  0999 V2000
    6.2781    1.3056    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -2.4111    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2566    1.5118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6103    2.0499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674    0.3551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    0.1489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.8016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5673    2.4623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9244    0.7675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9209    3.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6318    1.8437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.1064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -1.6064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.1064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.6064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.6064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.1064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.1064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0640    0.9225    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2169    2.1778    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9880   -0.2646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5812    0.2677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9684    0.7685    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3751    0.2362    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1566    2.2697    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7599    3.0517    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9780    2.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4630    0.3535    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3385    0.3061    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3859    1.1816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5102    2.8078    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1135    3.5898    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3316    3.1930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5039    2.4504    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0251    1.7158    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7596    1.2370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8819   -1.6064    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709   -3.0004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0136    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.2264    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.7964    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.4164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2 13  1  0  0  0  0
  2 14  1  0  0  0  0
  2 38  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 19  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  4 20  1  0  0  0  0
  5  6  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6  7  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 34  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 13 37  1  0  0  0  0
 14 16  2  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>
26903

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
242

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7AAAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgB8AAAHAAQAAAADCjBHgQ+wPPJkACgAzRnRACCgCAxAiAI2aA4ZJgIIOLAkZGEIAhgkADIyAcQgMAOgAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

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

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHIKEY>
ZRVAAGAZUWXRIP-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
4.1

> <PUBCHEM_EXACT_MASS>
244.193948774

> <PUBCHEM_MOLECULAR_FORMULA>
C16H24N2

> <PUBCHEM_MOLECULAR_WEIGHT>
244.37

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

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

> <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>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
12  14  8
12  15  8
14  16  8
15  17  8
16  18  8
17  18  8
2  13  8
2  14  8
7  12  8
7  13  8

$$$$