
 CHEMBL2432063

 49 54  0  0  0  0  0  0  0  0999 V2000
    1.9550   -1.4679    0.7639 C   0  0  0  0  0
    1.3500   -0.1571    0.4832 N   0  0  0  0  0
    1.1795   -0.0097   -0.9809 C   0  0  0  0  0
   -0.1036    0.7401   -1.4069 C   0  0  0  0  0
   -1.3837    0.0408   -0.9190 C   0  0  0  0  0
   -2.6394    0.7639   -1.4059 C   0  0  0  0  0
   -2.6522    0.9109   -2.9233 C   0  0  0  0  0
   -1.3861    1.5933   -3.4295 C   0  0  0  0  0
   -0.1288    0.8791   -2.9406 C   0  0  0  0  0
    2.1784    0.9229    1.0640 C   0  0  0  0  0
    2.4933    0.8318    2.5831 C   0  0  0  0  0
    1.2520    1.0137    3.5356 C   0  0  0  0  0
   -0.0623    1.2613    2.7976 C   0  0  0  0  0
    0.2840    2.4985    1.9687 C   0  0  0  0  0
    1.5233    2.3189    1.0263 C   0  0  0  0  0
    2.3750    3.1459    2.0180 C   0  0  0  0  0
    3.2599    2.1611    2.8047 C   0  0  0  0  0
    3.0147    2.5198    4.2560 C   0  0  0  0  0
    1.5090    2.4163    4.1406 C   0  0  0  0  0
    1.1565    3.3249    2.9405 C   0  0  0  0  0
    1.9900   -1.6703    1.8375 H   0  0  0  0  0
    2.9704   -1.5451    0.3563 H   0  0  0  0  0
    1.3499   -2.2742    0.3357 H   0  0  0  0  0
    1.1237   -1.0028   -1.4505 H   0  0  0  0  0
    2.0627    0.4669   -1.4260 H   0  0  0  0  0
   -0.0982    1.7512   -0.9915 H   0  0  0  0  0
   -1.4066    0.0019    0.1750 H   0  0  0  0  0
   -1.4019   -0.9972   -1.2747 H   0  0  0  0  0
   -3.5300    0.2151   -1.0816 H   0  0  0  0  0
   -2.6902    1.7573   -0.9420 H   0  0  0  0  0
   -2.7425   -0.0801   -3.3850 H   0  0  0  0  0
   -3.5307    1.4884   -3.2319 H   0  0  0  0  0
   -1.3932    1.6170   -4.5253 H   0  0  0  0  0
   -1.3698    2.6350   -3.0875 H   0  0  0  0  0
   -0.0759   -0.1140   -3.4062 H   0  0  0  0  0
    0.7535    1.4356   -3.2789 H   0  0  0  0  0
    3.1350    0.9607    0.5212 H   0  0  0  0  0
    3.1011   -0.0298    2.8750 H   0  0  0  0  0
    1.1985    0.2235    4.2898 H   0  0  0  0  0
   -0.8694    1.4878    3.5052 H   0  0  0  0  0
   -0.3896    0.4118    2.1990 H   0  0  0  0  0
   -0.5606    3.0267    1.5193 H   0  0  0  0  0
    1.4416    2.7944    0.0457 H   0  0  0  0  0
    2.8354    4.0639    1.6474 H   0  0  0  0  0
    4.3018    2.1439    2.4778 H   0  0  0  0  0
    3.4448    1.7985    4.9572 H   0  0  0  0  0
    3.3478    3.5339    4.4985 H   0  0  0  0  0
    0.9343    2.6353    5.0428 H   0  0  0  0  0
    0.8547    4.3536    3.1467 H   0  0  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2 10  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 24  1  0  0  0
  3 25  1  0  0  0
  4  9  1  0  0  0
  4  5  1  0  0  0
  4 26  1  0  0  0
  5  6  1  0  0  0
  5 27  1  0  0  0
  5 28  1  0  0  0
  6  7  1  0  0  0
  6 29  1  0  0  0
  6 30  1  0  0  0
  7  8  1  0  0  0
  7 31  1  0  0  0
  7 32  1  0  0  0
  8  9  1  0  0  0
  8 33  1  0  0  0
  8 34  1  0  0  0
  9 35  1  0  0  0
  9 36  1  0  0  0
 10 11  1  0  0  0
 10 15  1  0  0  0
 10 37  1  0  0  0
 11 17  1  0  0  0
 11 12  1  0  0  0
 11 38  1  0  0  0
 12 19  1  0  0  0
 12 13  1  0  0  0
 12 39  1  0  0  0
 13 14  1  0  0  0
 13 40  1  0  0  0
 13 41  1  0  0  0
 14 15  1  0  0  0
 14 20  1  0  0  0
 14 42  1  0  0  0
 15 16  1  0  0  0
 15 43  1  0  0  0
 16 17  1  0  0  0
 16 20  1  0  0  0
 16 44  1  0  0  0
 17 18  1  0  0  0
 17 45  1  0  0  0
 18 19  1  0  0  0
 18 46  1  0  0  0
 18 47  1  0  0  0
 19 20  1  0  0  0
 19 48  1  0  0  0
 20 49  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2432063

>  <PubChem CID>
73352416

>  <Formula>
C19H29N

>  <Molecular Weight>
271.448000

>  <IUPAC Name>


>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CN(CC1CCCCC1)C2C3C4CC5C2C6C3CC4C56

>  <Isomeric SMILES>
CN(CC1CCCCC1)[C@H]2C3C4CC5C2C6C3CC4C56

>  <InChI Std. ID>
InChI=1S/C19H29N/c1-20(9-10-5-3-2-4-6-10)19-16-12-8-13-15-11(12)7-14(16)17(15)18(13)19/h10-19H,2-9H2,1H3/t11?,12?,13?,14?,15?,16?,17?,18?,19-/m0/s1

>  <InChI Key>
BMHWWKPJPARTBN-RAOGCBAWSA-N

