
 CHEMBL1178761

 33 32  0  0  0  0  0  0  0  0999 V2000
    6.9368    7.8078   -1.1271 C   0  0  0  0  0
    6.6394    6.3427   -1.1069 C   0  0  0  0  0
    7.3542    5.5309   -0.4006 N   0  0  0  0  0
    6.8524    4.2310   -0.5578 O   0  0  0  0  0
    7.6494    3.3390    0.2235 C   0  0  0  0  0
    7.1543    1.9066    0.0309 C   0  0  0  0  0
    7.2444    1.4628   -1.4454 C   0  0  0  0  0
    6.8761    0.0358   -1.5417 N   0  0  0  0  0
    6.9980   -0.5617   -2.8876 C   0  0  0  0  0
    6.5193   -2.0207   -2.7563 C   0  0  0  0  0
    6.1089    0.1496   -3.9209 C   0  0  0  0  0
    8.4573   -0.5761   -3.3707 C   0  0  0  0  0
    7.9291    1.0084    0.8359 O   0  0  0  0  0
    7.1368    8.1148   -2.1566 H   0  0  0  0  0
    7.7999    8.0416   -0.4990 H   0  0  0  0  0
    6.0604    8.3507   -0.7642 H   0  0  0  0  0
    5.7863    5.9950   -1.7165 H   0  0  0  0  0
    7.5815    3.6169    1.2824 H   0  0  0  0  0
    8.7029    3.4216   -0.0725 H   0  0  0  0  0
    6.1111    1.8340    0.3620 H   0  0  0  0  0
    8.2762    1.6016   -1.7833 H   0  0  0  0  0
    6.5822    2.0829   -2.0572 H   0  0  0  0  0
    5.9103   -0.0689   -1.2222 H   0  0  0  0  0
    7.1235   -2.5769   -2.0293 H   0  0  0  0  0
    6.5911   -2.5481   -3.7149 H   0  0  0  0  0
    5.4731   -2.0735   -2.4316 H   0  0  0  0  0
    6.4525    1.1695   -4.1250 H   0  0  0  0  0
    5.0681    0.2049   -3.5808 H   0  0  0  0  0
    6.1138   -0.3872   -4.8771 H   0  0  0  0  0
    8.8352    0.4316   -3.5735 H   0  0  0  0  0
    8.5549   -1.1464   -4.3023 H   0  0  0  0  0
    9.1175   -1.0426   -2.6300 H   0  0  0  0  0
    7.8527    0.1432    0.3812 H   0  0  0  0  0
  1  2  1  0  0  0
  1 14  1  0  0  0
  1 15  1  0  0  0
  1 16  1  0  0  0
  2  3  2  0  0  0
  2 17  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 18  1  0  0  0
  5 19  1  0  0  0
  6 13  1  0  0  0
  6  7  1  0  0  0
  6 20  1  0  0  0
  7  8  1  0  0  0
  7 21  1  0  0  0
  7 22  1  0  0  0
  8  9  1  0  0  0
  8 23  1  0  0  0
  9 12  1  0  0  0
  9 11  1  0  0  0
  9 10  1  0  0  0
 10 24  1  0  0  0
 10 25  1  0  0  0
 10 26  1  0  0  0
 11 27  1  0  0  0
 11 28  1  0  0  0
 11 29  1  0  0  0
 12 30  1  0  0  0
 12 31  1  0  0  0
 12 32  1  0  0  0
 13 33  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1178761

>  <PubChem CID>
10375227

>  <Formula>
C9H20N2O2

>  <Molecular Weight>
188.271000

>  <IUPAC Name>
1-(tert-butylamino)-3-[(E)-ethylideneamino]oxypropan-2-ol

>  <XlogP>
0.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC=NOCC(CNC(C)(C)C)O

>  <Isomeric SMILES>
C/C=N/OCC(CNC(C)(C)C)O

>  <InChI Std. ID>
InChI=1S/C9H20N2O2/c1-5-11-13-7-8(12)6-10-9(2,3)4/h5,8,10,12H,6-7H2,1-4H3/b11-5+

>  <InChI Key>
SPGPSXZIZLOIOC-VZUCSPMQSA-N

