
 CHEMBL1183318

 30 29  0  0  0  0  0  0  0  0999 V2000
    7.1437    6.1907    3.2012 C   0  0  0  0  0
    7.0650    4.8046    2.6417 C   0  0  0  0  0
    6.9081    4.6085    1.3748 N   0  0  0  0  0
    6.8332    3.2290    1.1364 O   0  0  0  0  0
    6.5762    3.0001   -0.2569 C   0  0  0  0  0
    7.8180    2.3540   -0.8750 C   0  0  0  0  0
    7.5541    1.9566   -2.3397 C   0  0  0  0  0
    8.7431    1.2997   -2.9065 N   0  0  0  0  0
    8.6331    1.0682   -4.3506 C   0  0  0  0  0
   10.0324    0.8141   -4.9156 C   0  0  0  0  0
    7.7321   -0.1315   -4.6462 C   0  0  0  0  0
    8.9164    3.2821   -0.8321 O   0  0  0  0  0
    8.1394    6.3482    3.6209 H   0  0  0  0  0
    6.4066    6.2895    4.0011 H   0  0  0  0  0
    6.9475    6.9362    2.4276 H   0  0  0  0  0
    7.1569    3.9695    3.3580 H   0  0  0  0  0
    6.3269    3.9400   -0.7675 H   0  0  0  0  0
    5.7120    2.3303   -0.3247 H   0  0  0  0  0
    8.1143    1.4794   -0.2849 H   0  0  0  0  0
    7.3316    2.8629   -2.9163 H   0  0  0  0  0
    6.6893    1.2866   -2.3882 H   0  0  0  0  0
    9.5365    1.9185   -2.7059 H   0  0  0  0  0
    8.2319    1.9572   -4.8521 H   0  0  0  0  0
   10.5049   -0.0580   -4.4490 H   0  0  0  0  0
   10.6844    1.6806   -4.7541 H   0  0  0  0  0
    9.9869    0.6341   -5.9954 H   0  0  0  0  0
    8.0837   -1.0328   -4.1307 H   0  0  0  0  0
    7.7156   -0.3476   -5.7200 H   0  0  0  0  0
    6.6984    0.0538   -4.3362 H   0  0  0  0  0
    8.8492    3.7268    0.0358 H   0  0  0  0  0
  1  2  1  0  0  0
  1 13  1  0  0  0
  1 14  1  0  0  0
  1 15  1  0  0  0
  2  3  2  0  0  0
  2 16  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 17  1  0  0  0
  5 18  1  0  0  0
  6 12  1  0  0  0
  6  7  1  0  0  0
  6 19  1  0  0  0
  7  8  1  0  0  0
  7 20  1  0  0  0
  7 21  1  0  0  0
  8  9  1  0  0  0
  8 22  1  0  0  0
  9 11  1  0  0  0
  9 10  1  0  0  0
  9 23  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
M  END

>  <Chemical Name>
CHEMBL1183318

>  <PubChem CID>
11819522

>  <Formula>
C8H18N2O2

>  <Molecular Weight>
174.244000

>  <IUPAC Name>
1-[(E)-ethylideneamino]oxy-3-(propan-2-ylamino)propan-2-ol

>  <XlogP>
0.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

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

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

>  <InChI Std. ID>
InChI=1S/C8H18N2O2/c1-4-10-12-6-8(11)5-9-7(2)3/h4,7-9,11H,5-6H2,1-3H3/b10-4+

>  <InChI Key>
XPAWJQUCISBPJW-ONNFQVAWSA-N

