
 CHEMBL69562

 49 51  0  0  0  0  0  0  0  0999 V2000
    2.3710   -0.4058    2.6864 C   0  0  0  0  0
    3.1428   -0.1962    1.3905 C   0  0  0  0  0
    3.5379    1.2798    1.2158 C   0  0  0  0  0
    4.3284    1.5516    0.0061 N   0  0  0  0  0
    3.7148    1.0934   -1.2545 C   0  0  0  0  0
    2.2453    1.4689   -1.5182 C   0  0  0  0  0
    1.7495    0.8745   -2.8289 C   0  0  0  0  0
    4.9102    2.9198   -0.0781 C   0  0  0  0  0
    5.8231    3.2545    1.1138 C   0  0  0  0  0
    6.5593    4.5697    0.8639 C   0  0  0  0  0
    5.6216    5.7079    0.5402 C   0  0  0  0  0
    4.3485    5.4631   -0.0260 C   0  0  0  0  0
    3.8840    4.0499   -0.2862 C   0  0  0  0  0
    3.5041    6.5759   -0.3129 C   0  0  0  0  0
    3.9815    7.8621   -0.0583 C   0  0  0  0  0
    5.2466    8.1169    0.4735 C   0  0  0  0  0
    6.0558    7.0199    0.7667 C   0  0  0  0  0
    2.9948    8.7476   -0.4254 N   0  0  0  0  0
    1.9022    8.0768   -0.8923 C   0  0  0  0  0
    2.1683    6.7231   -0.8374 C   0  0  0  0  0
    1.2243    5.6490   -1.2477 C   0  0  0  0  0
    2.0884   -1.4577    2.7936 H   0  0  0  0  0
    1.4547    0.1937    2.6970 H   0  0  0  0  0
    2.9757   -0.1253    3.5545 H   0  0  0  0  0
    2.5129   -0.5410    0.5647 H   0  0  0  0  0
    4.0406   -0.8251    1.3988 H   0  0  0  0  0
    4.1271    1.5386    2.1017 H   0  0  0  0  0
    2.6372    1.9027    1.2467 H   0  0  0  0  0
    3.7991   -0.0007   -1.2827 H   0  0  0  0  0
    4.3281    1.4287   -2.1013 H   0  0  0  0  0
    2.1132    2.5502   -1.5725 H   0  0  0  0  0
    1.5938    1.1149   -0.7135 H   0  0  0  0  0
    2.3592    1.2155   -3.6714 H   0  0  0  0  0
    0.7149    1.1814   -3.0132 H   0  0  0  0  0
    1.7791   -0.2190   -2.7983 H   0  0  0  0  0
    5.5743    2.9190   -0.9556 H   0  0  0  0  0
    6.5589    2.4561    1.2693 H   0  0  0  0  0
    5.2416    3.3515    2.0386 H   0  0  0  0  0
    7.2641    4.4532    0.0314 H   0  0  0  0  0
    7.1444    4.8135    1.7592 H   0  0  0  0  0
    3.0124    3.8844    0.3549 H   0  0  0  0  0
    3.5624    4.0162   -1.3319 H   0  0  0  0  0
    5.5920    9.1283    0.6590 H   0  0  0  0  0
    7.0446    7.2002    1.1847 H   0  0  0  0  0
    3.0739    9.7527   -0.3514 H   0  0  0  0  0
    1.0228    8.6138   -1.2228 H   0  0  0  0  0
    0.2486    6.0626   -1.5245 H   0  0  0  0  0
    1.0590    4.9423   -0.4290 H   0  0  0  0  0
    1.6118    5.1051   -2.1144 H   0  0  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  3  1  0  0  0
  2 25  1  0  0  0
  2 26  1  0  0  0
  3  4  1  0  0  0
  3 27  1  0  0  0
  3 28  1  0  0  0
  4  8  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 29  1  0  0  0
  5 30  1  0  0  0
  6  7  1  0  0  0
  6 31  1  0  0  0
  6 32  1  0  0  0
  7 33  1  0  0  0
  7 34  1  0  0  0
  7 35  1  0  0  0
  8  9  1  0  0  0
  8 13  1  0  0  0
  8 36  1  0  0  0
  9 10  1  0  0  0
  9 37  1  0  0  0
  9 38  1  0  0  0
 10 11  1  0  0  0
 10 39  1  0  0  0
 10 40  1  0  0  0
 11 17  1  0  0  0
 11 12  2  0  0  0
 12 14  1  0  0  0
 12 13  1  0  0  0
 13 41  1  0  0  0
 13 42  1  0  0  0
 14 15  2  0  0  0
 14 20  1  0  0  0
 15 16  1  0  0  0
 15 18  1  0  0  0
 16 17  2  0  0  0
 16 43  1  0  0  0
 17 44  1  0  0  0
 18 19  1  0  0  0
 18 45  1  0  0  0
 19 20  2  0  0  0
 19 46  1  0  0  0
 20 21  1  0  0  0
 21 47  1  0  0  0
 21 48  1  0  0  0
 21 49  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL69562

>  <PubChem CID>
10356544

>  <Formula>
C19H28N2

>  <Molecular Weight>
284.447000

>  <IUPAC Name>
1-methyl-N,N-dipropyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine

>  <XlogP>
5.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CCCN(CCC)C1CCC2=C(C1)C3=C(C=C2)NC=C3C

>  <Isomeric SMILES>
CCCN(CCC)C1CCC2=C(C1)C3=C(C=C2)NC=C3C

>  <InChI Std. ID>
InChI=1S/C19H28N2/c1-4-10-21(11-5-2)16-8-6-15-7-9-18-19(17(15)12-16)14(3)13-20-18/h7,9,13,16,20H,4-6,8,10-12H2,1-3H3

>  <InChI Key>
BLMNALZUWKHXKM-UHFFFAOYSA-N

