
 CHEMBL1178754

 30 29  0  0  0  0  0  0  0  0999 V2000
   10.4617    3.4074    4.3092 C   0  0  0  0  0
    9.2561    4.3196    4.1699 C   0  0  0  0  0
    8.2685    3.7288    3.3233 O   0  0  0  0  0
    8.7011    3.8102    1.9917 N   0  0  0  0  0
    7.7763    3.3289    1.2235 C   0  0  0  0  0
    7.9988    3.2625   -0.2794 C   0  0  0  0  0
    6.8863    4.0125   -1.0312 C   0  0  0  0  0
    6.8914    5.4458   -0.6996 N   0  0  0  0  0
    6.0502    6.2597   -1.5848 C   0  0  0  0  0
    4.5693    5.8902   -1.4883 C   0  0  0  0  0
    6.2420    7.7272   -1.1936 C   0  0  0  0  0
    9.2722    3.7932   -0.6497 O   0  0  0  0  0
   11.1821    3.8207    5.0212 H   0  0  0  0  0
   10.9648    3.2742    3.3459 H   0  0  0  0  0
   10.1550    2.4129    4.6499 H   0  0  0  0  0
    9.5438    5.3048    3.7852 H   0  0  0  0  0
    8.7951    4.4703    5.1510 H   0  0  0  0  0
    6.8223    2.9349    1.6157 H   0  0  0  0  0
    7.9772    2.2052   -0.5658 H   0  0  0  0  0
    5.9172    3.5715   -0.7744 H   0  0  0  0  0
    7.0573    3.8891   -2.1077 H   0  0  0  0  0
    7.8609    5.7695   -0.7734 H   0  0  0  0  0
    6.3831    6.1407   -2.6234 H   0  0  0  0  0
    4.2157    5.9194   -0.4519 H   0  0  0  0  0
    4.3798    4.8877   -1.8850 H   0  0  0  0  0
    3.9583    6.5883   -2.0711 H   0  0  0  0  0
    5.9324    7.9111   -0.1585 H   0  0  0  0  0
    5.6502    8.3825   -1.8416 H   0  0  0  0  0
    7.2915    8.0278   -1.2902 H   0  0  0  0  0
    9.6774    4.0925    0.1905 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  1  0  0  0
  2 16  1  0  0  0
  2 17  1  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  5  6  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>
CHEMBL1178754

>  <PubChem CID>
10464801

>  <Formula>
C8H18N2O2

>  <Molecular Weight>
174.244000

>  <IUPAC Name>
(1E)-1-ethoxyimino-3-(propan-2-ylamino)propan-2-ol

>  <XlogP>
0.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

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

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

>  <InChI Std. ID>
InChI=1S/C8H18N2O2/c1-4-12-10-6-8(11)5-9-7(2)3/h6-9,11H,4-5H2,1-3H3/b10-6+

>  <InChI Key>
QERUQSLRZFKGJD-UXBLZVDNSA-N

