
 CHEMBL265521

 36 37  0  0  0  0  0  0  0  0999 V2000
    2.9236    2.2647   -2.9381 C   0  0  0  0  0
    4.1275    2.2072   -2.0011 C   0  0  0  0  0
    5.4572    2.1726   -2.7643 C   0  0  0  0  0
    5.6484    0.9204   -3.5145 C   0  0  0  0  0
    5.8081   -0.0995   -4.1260 C   0  0  0  0  0
    4.0814    3.3958   -1.1945 O   0  0  0  0  0
    4.7690    3.1610    0.0037 N   0  0  0  0  0
    4.7393    4.1979    0.7876 C   0  0  0  0  0
    5.3909    4.0618    2.1534 C   0  0  0  0  0
    5.9427    5.4074    2.6394 C   0  0  0  0  0
    6.9874    5.9719    1.6700 C   0  0  0  0  0
    6.1821    6.8242    0.6890 C   0  0  0  0  0
    4.7290    6.6877    1.1604 C   0  0  0  0  0
    4.0265    5.5054    0.4740 C   0  0  0  0  0
    4.8283    6.3728    2.5980 N   0  0  0  0  0
    5.0790    7.5561    3.4192 C   0  0  0  0  0
    1.9981    2.3673   -2.3607 H   0  0  0  0  0
    2.8449    1.3646   -3.5548 H   0  0  0  0  0
    2.9800    3.1382   -3.5970 H   0  0  0  0  0
    4.0225    1.3235   -1.3570 H   0  0  0  0  0
    6.2891    2.2972   -2.0603 H   0  0  0  0  0
    5.5196    3.0325   -3.4425 H   0  0  0  0  0
    5.9510   -1.0068   -4.6676 H   0  0  0  0  0
    6.1926    3.3163    2.0999 H   0  0  0  0  0
    4.6297    3.6863    2.8479 H   0  0  0  0  0
    6.3531    5.2765    3.6472 H   0  0  0  0  0
    7.7053    6.6072    2.2022 H   0  0  0  0  0
    7.5559    5.1898    1.1559 H   0  0  0  0  0
    6.5134    7.8674    0.7535 H   0  0  0  0  0
    6.3258    6.4955   -0.3457 H   0  0  0  0  0
    4.1530    7.5998    0.9663 H   0  0  0  0  0
    2.9938    5.4141    0.8310 H   0  0  0  0  0
    3.9968    5.6818   -0.6058 H   0  0  0  0  0
    5.1618    7.2695    4.4734 H   0  0  0  0  0
    4.2326    8.2480    3.3477 H   0  0  0  0  0
    5.9874    8.1022    3.1446 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  6  1  0  0  0
  2  3  1  0  0  0
  2 20  1  0  0  0
  3  4  1  0  0  0
  3 21  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>
CHEMBL265521

>  <PubChem CID>
10059327

>  <Formula>
C13H20N2O

>  <Molecular Weight>
220.316000

>  <IUPAC Name>
8-methyl-N-pent-4-yn-2-yloxy-8-azabicyclo[3.2.1]octan-3-imine

>  <XlogP>
1.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

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

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

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

>  <InChI Key>
BFBGBOFYCVNXOQ-UHFFFAOYSA-N

