
 CHEMBL164950

 41 41  0  0  0  0  0  0  0  0999 V2000
    1.8542    0.7556    1.9412 C   0  0  0  0  0
    3.0547    1.0113    1.0409 C   0  0  0  0  0
    2.6131    1.4365   -0.3662 C   0  0  0  0  0
    3.7004    1.7420   -1.3203 N   0  0  0  0  0
    4.5030    0.5507   -1.6608 C   0  0  0  0  0
    3.7246   -0.6009   -2.3201 C   0  0  0  0  0
    3.0516   -0.1886   -3.6233 C   0  0  0  0  0
    4.5132    2.9416   -0.9595 C   0  0  0  0  0
    3.5964    4.1796   -0.7394 C   0  0  0  0  0
    4.3371    5.5132   -0.6408 C   0  0  0  0  0
    5.2257    5.6766   -1.8499 C   0  0  0  0  0
    5.0489    6.5976   -2.8285 C   0  0  0  0  0
    3.9833    7.5439   -2.7824 C   0  0  0  0  0
    3.1079    8.3049   -2.7359 N   0  0  0  0  0
    5.8816    6.6237   -3.9867 C   0  0  0  0  0
    6.5628    6.6236   -4.9264 N   0  0  0  0  0
    6.2796    4.5978   -1.8673 C   0  0  0  0  0
    5.5943    3.2446   -2.0347 C   0  0  0  0  0
    2.1869    0.4146    2.9267 H   0  0  0  0  0
    1.2014   -0.0144    1.5179 H   0  0  0  0  0
    1.2668    1.6690    2.0787 H   0  0  0  0  0
    3.6519    0.0946    0.9944 H   0  0  0  0  0
    3.6759    1.7850    1.5040 H   0  0  0  0  0
    1.9329    2.2925   -0.2912 H   0  0  0  0  0
    1.9672    0.6573   -0.7869 H   0  0  0  0  0
    5.0351    0.1766   -0.7788 H   0  0  0  0  0
    5.2742    0.8082   -2.3924 H   0  0  0  0  0
    2.9847   -1.0277   -1.6356 H   0  0  0  0  0
    4.4332   -1.4091   -2.5399 H   0  0  0  0  0
    2.2759    0.5646   -3.4552 H   0  0  0  0  0
    2.5802   -1.0563   -4.0954 H   0  0  0  0  0
    3.7822    0.2222   -4.3282 H   0  0  0  0  0
    5.0479    2.7491   -0.0200 H   0  0  0  0  0
    3.0226    4.0618    0.1876 H   0  0  0  0  0
    2.8696    4.2457   -1.5608 H   0  0  0  0  0
    3.6082    6.3230   -0.5354 H   0  0  0  0  0
    4.9496    5.5383    0.2694 H   0  0  0  0  0
    7.0168    4.7316   -2.6650 H   0  0  0  0  0
    6.8460    4.6225   -0.9274 H   0  0  0  0  0
    5.1428    3.1965   -3.0350 H   0  0  0  0  0
    6.3846    2.4860   -1.9970 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  3  1  0  0  0
  2 22  1  0  0  0
  2 23  1  0  0  0
  3  4  1  0  0  0
  3 24  1  0  0  0
  3 25  1  0  0  0
  4  8  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 26  1  0  0  0
  5 27  1  0  0  0
  6  7  1  0  0  0
  6 28  1  0  0  0
  6 29  1  0  0  0
  7 30  1  0  0  0
  7 31  1  0  0  0
  7 32  1  0  0  0
  8 18  1  0  0  0
  8  9  1  0  0  0
  8 33  1  0  0  0
  9 10  1  0  0  0
  9 34  1  0  0  0
  9 35  1  0  0  0
 10 11  1  0  0  0
 10 36  1  0  0  0
 10 37  1  0  0  0
 11 17  1  0  0  0
 11 12  2  0  0  0
 12 15  1  0  0  0
 12 13  1  0  0  0
 13 14  3  0  0  0
 15 16  3  0  0  0
 17 18  1  0  0  0
 17 38  1  0  0  0
 17 39  1  0  0  0
 18 40  1  0  0  0
 18 41  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL164950

>  <PubChem CID>
10705550

>  <Formula>
C15H23N3

>  <Molecular Weight>
245.370000

>  <IUPAC Name>
2-[4-(dipropylamino)cyclohexylidene]propanedinitrile

>  <XlogP>
2.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCCN(CCC)C1CCC(=C(C#N)C#N)CC1

>  <Isomeric SMILES>
CCCN(CCC)C1CCC(=C(C#N)C#N)CC1

>  <InChI Std. ID>
InChI=1S/C15H23N3/c1-3-9-18(10-4-2)15-7-5-13(6-8-15)14(11-16)12-17/h15H,3-10H2,1-2H3

>  <InChI Key>
FGVSZVRUGNMGKP-UHFFFAOYSA-N

