
 CHEMBL109068

 36 37  0  0  0  0  0  0  0  0999 V2000
    7.7418    1.3122   -4.8493 C   0  0  0  0  0
    8.0499    1.6330   -3.3935 C   0  0  0  0  0
    6.8713    1.3623   -2.4481 C   0  0  0  0  0
    6.5602   -0.0792   -2.3725 C   0  0  0  0  0
    6.3021   -1.2495   -2.3089 C   0  0  0  0  0
    7.2275    1.8055   -1.1293 O   0  0  0  0  0
    6.9672    3.1797   -1.0038 N   0  0  0  0  0
    7.2890    3.6177    0.1776 C   0  0  0  0  0
    7.8530    2.7625    1.3036 C   0  0  0  0  0
    8.8287    3.5840    2.1623 C   0  0  0  0  0
    9.9908    4.1271    1.3211 C   0  0  0  0  0
    9.5032    5.4894    0.8245 C   0  0  0  0  0
    8.0996    5.6403    1.4240 C   0  0  0  0  0
    7.0221    5.0812    0.4851 C   0  0  0  0  0
    8.1104    4.7863    2.6273 N   0  0  0  0  0
    8.7658    5.4283    3.7660 C   0  0  0  0  0
    8.5934    1.5826   -5.4819 H   0  0  0  0  0
    6.8693    1.8736   -5.1983 H   0  0  0  0  0
    7.5466    0.2452   -4.9936 H   0  0  0  0  0
    8.3389    2.6890   -3.3212 H   0  0  0  0  0
    8.9314    1.0636   -3.0714 H   0  0  0  0  0
    5.9773    1.9027   -2.7857 H   0  0  0  0  0
    6.0716   -2.2887   -2.2480 H   0  0  0  0  0
    8.3735    1.8850    0.9087 H   0  0  0  0  0
    7.0093    2.4116    1.9097 H   0  0  0  0  0
    9.1830    2.9578    2.9891 H   0  0  0  0  0
   10.8861    4.2620    1.9395 H   0  0  0  0  0
   10.2596    3.4653    0.4910 H   0  0  0  0  0
   10.1705    6.2750    1.1980 H   0  0  0  0  0
    9.5053    5.5463   -0.2691 H   0  0  0  0  0
    7.8631    6.6864    1.6495 H   0  0  0  0  0
    6.0314    5.1505    0.9502 H   0  0  0  0  0
    6.9955    5.6517   -0.4501 H   0  0  0  0  0
    8.7653    4.7530    4.6286 H   0  0  0  0  0
    8.2058    6.3210    4.0658 H   0  0  0  0  0
    9.8006    5.7281    3.5713 H   0  0  0  0  0
  1  2  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  2  3  1  0  0  0
  2 20  1  0  0  0
  2 21  1  0  0  0
  3  6  1  0  0  0
  3  4  1  0  0  0
  3 22  1  0  0  0
  4  5  3  0  0  0
  5 23  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  8 14  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 24  1  0  0  0
  9 25  1  0  0  0
 10 11  1  0  0  0
 10 15  1  0  0  0
 10 26  1  0  0  0
 11 12  1  0  0  0
 11 27  1  0  0  0
 11 28  1  0  0  0
 12 13  1  0  0  0
 12 29  1  0  0  0
 12 30  1  0  0  0
 13 14  1  0  0  0
 13 15  1  0  0  0
 13 31  1  0  0  0
 14 32  1  0  0  0
 14 33  1  0  0  0
 15 16  1  0  0  0
 16 34  1  0  0  0
 16 35  1  0  0  0
 16 36  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL109068

>  <PubChem CID>
10466060

>  <Formula>
C13H20N2O

>  <Molecular Weight>
220.316000

>  <IUPAC Name>
8-methyl-N-pent-1-yn-3-yloxy-8-azabicyclo[3.2.1]octan-3-imine

>  <XlogP>
2.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCC(C#C)ON=C1CC2CCC(C1)N2C

>  <Isomeric SMILES>
CCC(C#C)ON=C1CC2CCC(C1)N2C

>  <InChI Std. ID>
InChI=1S/C13H20N2O/c1-4-13(5-2)16-14-10-8-11-6-7-12(9-10)15(11)3/h1,11-13H,5-9H2,2-3H3

>  <InChI Key>
DIILXVCVGNHOQK-UHFFFAOYSA-N

