
 CHEMBL161921

 37 38  0  0  0  0  0  0  0  0999 V2000
    2.0573   -0.4904   -2.3552 C   0  0  0  0  0
    2.9053   -0.1585   -1.1366 C   0  0  0  0  0
    3.4416    1.2723   -1.2071 C   0  0  0  0  0
    4.2204    1.5655   -0.0020 N   0  0  0  0  0
    4.7905    2.9255   -0.0052 C   0  0  0  0  0
    5.7931    3.0429    1.1500 C   0  0  0  0  0
    6.5433    4.3731    1.0936 C   0  0  0  0  0
    5.6968    5.5802    0.7486 C   0  0  0  0  0
    6.2374    6.8820    0.8639 C   0  0  0  0  0
    5.4800    8.0012    0.4917 C   0  0  0  0  0
    4.1904    7.8429   -0.0046 C   0  0  0  0  0
    3.6505    6.5661   -0.1280 C   0  0  0  0  0
    4.3895    5.4273    0.2418 C   0  0  0  0  0
    3.7329    4.0596    0.1078 C   0  0  0  0  0
    2.7386    3.8594    1.2640 C   0  0  0  0  0
    7.5723    7.1016    1.3513 C   0  0  0  0  0
    8.6501    7.2792    1.7419 N   0  0  0  0  0
    1.6730   -1.5126   -2.2830 H   0  0  0  0  0
    2.6450   -0.4116   -3.2753 H   0  0  0  0  0
    1.2021    0.1886   -2.4345 H   0  0  0  0  0
    3.7357   -0.8719   -1.0725 H   0  0  0  0  0
    2.2961   -0.2865   -0.2334 H   0  0  0  0  0
    2.5931    1.9585   -1.2956 H   0  0  0  0  0
    4.0673    1.3860   -2.1003 H   0  0  0  0  0
    4.9730    0.8810    0.0788 H   0  0  0  0  0
    5.3544    3.0601   -0.9397 H   0  0  0  0  0
    6.5288    2.2289    1.1136 H   0  0  0  0  0
    5.2822    2.9485    2.1162 H   0  0  0  0  0
    7.3319    4.2937    0.3341 H   0  0  0  0  0
    7.0318    4.5231    2.0640 H   0  0  0  0  0
    5.8952    9.0036    0.5819 H   0  0  0  0  0
    3.6052    8.7119   -0.2953 H   0  0  0  0  0
    2.6386    6.4575   -0.5156 H   0  0  0  0  0
    3.1601    4.0684   -0.8292 H   0  0  0  0  0
    3.2293    3.9094    2.2416 H   0  0  0  0  0
    2.2236    2.8967    1.1895 H   0  0  0  0  0
    1.9652    4.6360    1.2544 H   0  0  0  0  0
  1  2  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  2  3  1  0  0  0
  2 21  1  0  0  0
  2 22  1  0  0  0
  3  4  1  0  0  0
  3 23  1  0  0  0
  3 24  1  0  0  0
  4  5  1  0  0  0
  4 25  1  0  0  0
  5  6  1  0  0  0
  5 14  1  0  0  0
  5 26  1  0  0  0
  6  7  1  0  0  0
  6 27  1  0  0  0
  6 28  1  0  0  0
  7  8  1  0  0  0
  7 29  1  0  0  0
  7 30  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 16  1  0  0  0
 10 11  2  0  0  0
 10 31  1  0  0  0
 11 12  1  0  0  0
 11 32  1  0  0  0
 12 13  2  0  0  0
 12 33  1  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 14 34  1  0  0  0
 15 35  1  0  0  0
 15 36  1  0  0  0
 15 37  1  0  0  0
 16 17  3  0  0  0
M  END

>  <Chemical Name>
CHEMBL161921

>  <PubChem CID>
44374649

>  <Formula>
C15H20N2

>  <Molecular Weight>
228.339000

>  <IUPAC Name>
(5S,6R)-5-methyl-6-(propylamino)-5,6,7,8-tetrahydronaphthalene-1-carbonitrile

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCCNC1CCC2=C(C=CC=C2C1C)C#N

>  <Isomeric SMILES>
CCCN[C@@H]1CCC2=C(C=CC=C2[C@@H]1C)C#N

>  <InChI Std. ID>
InChI=1S/C15H20N2/c1-3-9-17-15-8-7-14-12(10-16)5-4-6-13(14)11(15)2/h4-6,11,15,17H,3,7-9H2,1-2H3/t11-,15+/m0/s1

>  <InChI Key>
CZBFFLYTWBQJJK-XHDPSFHLSA-N

