
 CHEMBL201525

 40 42  0  0  0  0  0  0  0  0999 V2000
    0.9931    0.0092    0.0281 C   0  0  0  0  0
    2.4061    0.3461   -0.1833 N   0  0  0  0  0
    2.7104    1.6595    0.4165 C   0  0  0  0  0
    4.1370    1.7709    1.0058 C   0  0  0  0  0
    4.8728    2.9987    0.5118 C   0  0  0  0  0
    4.3529    4.2340    0.9782 C   0  0  0  0  0
    4.8795    5.4607    0.5838 C   0  0  0  0  0
    5.9562    5.4866   -0.2832 C   0  0  0  0  0
    6.4895    4.2850   -0.7460 C   0  0  0  0  0
    5.9701    3.0150   -0.3734 C   0  0  0  0  0
    6.7100    1.8607   -1.0385 C   0  0  0  0  0
    6.3762    0.3979   -0.8447 C   0  0  0  0  0
    7.3270   -0.4110   -0.1860 C   0  0  0  0  0
    7.1524   -1.7892   -0.0671 C   0  0  0  0  0
    6.0230   -2.3885   -0.6056 C   0  0  0  0  0
    5.0681   -1.6086   -1.2563 C   0  0  0  0  0
    5.2189   -0.2133   -1.3792 C   0  0  0  0  0
    4.1426    0.5832   -2.0877 C   0  0  0  0  0
    2.6926    0.3064   -1.6356 C   0  0  0  0  0
    0.7669   -0.0558    1.0983 H   0  0  0  0  0
    0.7603   -0.9743   -0.3957 H   0  0  0  0  0
    0.3214    0.7484   -0.4241 H   0  0  0  0  0
    2.0338    1.8273    1.2673 H   0  0  0  0  0
    2.4804    2.4668   -0.2912 H   0  0  0  0  0
    4.7108    0.8547    0.9014 H   0  0  0  0  0
    4.0477    1.8657    2.0988 H   0  0  0  0  0
    3.5029    4.2390    1.6602 H   0  0  0  0  0
    4.4470    6.3865    0.9516 H   0  0  0  0  0
    6.3830    6.4329   -0.6024 H   0  0  0  0  0
    7.3385    4.3385   -1.4290 H   0  0  0  0  0
    7.7672    1.9921   -0.7617 H   0  0  0  0  0
    6.6858    2.0343   -2.1246 H   0  0  0  0  0
    8.2318    0.0313    0.2268 H   0  0  0  0  0
    7.9029   -2.3927    0.4359 H   0  0  0  0  0
    5.8802   -3.4619   -0.5185 H   0  0  0  0  0
    4.1895   -2.1041   -1.6621 H   0  0  0  0  0
    4.2222    0.3601   -3.1597 H   0  0  0  0  0
    4.3182    1.6579   -2.0068 H   0  0  0  0  0
    2.0393    1.0151   -2.1640 H   0  0  0  0  0
    2.4153   -0.6876   -2.0101 H   0  0  0  0  0
  1  2  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  2  3  1  0  0  0
  2 19  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
  4 26  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
  6 27  1  0  0  0
  7  8  2  0  0  0
  7 28  1  0  0  0
  8  9  1  0  0  0
  8 29  1  0  0  0
  9 10  2  0  0  0
  9 30  1  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 11 31  1  0  0  0
 11 32  1  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 33  1  0  0  0
 14 15  2  0  0  0
 14 34  1  0  0  0
 15 16  1  0  0  0
 15 35  1  0  0  0
 16 17  2  0  0  0
 16 36  1  0  0  0
 17 18  1  0  0  0
 18 19  1  0  0  0
 18 37  1  0  0  0
 18 38  1  0  0  0
 19 39  1  0  0  0
 19 40  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL201525

>  <PubChem CID>
5249956

>  <Formula>
C18H21N

>  <Molecular Weight>
251.373000

>  <IUPAC Name>


>  <XlogP>
4.600

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CN1CCC2=CC=CC=C2CC3=CC=CC=C3CC1

>  <Isomeric SMILES>
CN1CCC2=CC=CC=C2CC3=CC=CC=C3CC1

>  <InChI Std. ID>
InChI=1S/C18H21N/c1-19-12-10-15-6-2-4-8-17(15)14-18-9-5-3-7-16(18)11-13-19/h2-9H,10-14H2,1H3

>  <InChI Key>
BXOLXXSMCLYDNG-UHFFFAOYSA-N

