
 MLS000028153

 37 38  0  0  0  0  0  0  0  0999 V2000
    1.1923   -0.4371   -0.0061 C   0  0  0  0  0
    2.6894   -0.3291   -0.0088 C   0  0  0  0  0
    3.2916    0.9406   -0.0469 C   0  0  0  0  0
    4.6984    1.0566   -0.0432 C   0  0  0  0  0
    5.4583   -0.1090    0.0051 C   0  0  0  0  0
    4.8866   -1.3851    0.0470 C   0  0  0  0  0
    3.4905   -1.4732    0.0394 C   0  0  0  0  0
    6.7793    0.2672    0.0041 N   0  0  0  0  0
    6.8929    1.6355   -0.0452 C   0  0  0  0  0
    5.6088    2.1649   -0.0788 C   0  0  0  0  0
    5.2247    3.6109   -0.1480 C   0  0  0  0  0
    5.0279    4.1711    1.1959 C   0  0  0  0  0
    4.8740    4.6479    2.2455 N   0  0  0  0  0
    8.2391    2.2980   -0.0512 C   0  0  0  0  0
    8.7186    2.6221    1.3760 C   0  0  0  0  0
   10.0696    3.2168    1.4184 N   0  0  0  0  0
   10.0844    4.5712    0.8584 C   0  0  0  0  0
   10.5447    3.2614    2.8060 C   0  0  0  0  0
    0.8641   -1.4813   -0.0344 H   0  0  0  0  0
    0.7759    0.0670   -0.8843 H   0  0  0  0  0
    0.7838    0.0214    0.9001 H   0  0  0  0  0
    2.6712    1.8322   -0.0753 H   0  0  0  0  0
    5.4980   -2.2807    0.0861 H   0  0  0  0  0
    3.0309   -2.4592    0.0742 H   0  0  0  0  0
    7.5549   -0.3806    0.0371 H   0  0  0  0  0
    4.3067    3.7249   -0.7361 H   0  0  0  0  0
    5.9980    4.1807   -0.6755 H   0  0  0  0  0
    8.1755    3.2080   -0.6571 H   0  0  0  0  0
    8.9679    1.6435   -0.5464 H   0  0  0  0  0
    8.7322    1.6784    1.9388 H   0  0  0  0  0
    7.9933    3.2728    1.8823 H   0  0  0  0  0
    9.8579    4.5596   -0.2121 H   0  0  0  0  0
   11.0829    5.0145    0.9485 H   0  0  0  0  0
    9.3696    5.2343    1.3592 H   0  0  0  0  0
   10.5964    2.2517    3.2285 H   0  0  0  0  0
    9.8971    3.8722    3.4457 H   0  0  0  0  0
   11.5607    3.6695    2.8525 H   0  0  0  0  0
  1  2  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  2  7  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 22  1  0  0  0
  4 10  1  0  0  0
  4  5  2  0  0  0
  5  8  1  0  0  0
  5  6  1  0  0  0
  6  7  2  0  0  0
  6 23  1  0  0  0
  7 24  1  0  0  0
  8  9  1  0  0  0
  8 25  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 11 26  1  0  0  0
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 12 13  3  0  0  0
 14 15  1  0  0  0
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 15 16  1  0  0  0
 15 30  1  0  0  0
 15 31  1  0  0  0
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 18 37  1  0  0  0
M  END

>  <Chemical Name>
MLS000028153

>  <PubChem CID>
657861

>  <Formula>
C15H19N3

>  <Molecular Weight>
241.338000

>  <IUPAC Name>
2-[2-[2-(dimethylamino)ethyl]-5-methyl-1H-indol-3-yl]acetonitrile

>  <XlogP>
2.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC1=CC2=C(C=C1)NC(=C2CC#N)CCN(C)C

>  <Isomeric SMILES>
CC1=CC2=C(C=C1)NC(=C2CC#N)CCN(C)C

>  <InChI Std. ID>
InChI=1S/C15H19N3/c1-11-4-5-14-13(10-11)12(6-8-16)15(17-14)7-9-18(2)3/h4-5,10,17H,6-7,9H2,1-3H3

>  <InChI Key>
AZBZDVGXVXNMCB-UHFFFAOYSA-N

