
 CHEMBL1178755

 36 35  0  0  0  0  0  0  0  0999 V2000
    3.1338   -0.2035    3.3011 C   0  0  0  0  0
    3.5847    0.6063    2.0982 C   0  0  0  0  0
    4.9039    0.0901    1.5348 C   0  0  0  0  0
    5.2911    0.8617    0.3953 O   0  0  0  0  0
    5.9599    2.0151    0.8316 N   0  0  0  0  0
    6.4104    2.6531   -0.2012 C   0  0  0  0  0
    7.2014    3.9398   -0.0771 C   0  0  0  0  0
    6.9658    4.6354    1.2820 C   0  0  0  0  0
    7.7810    5.8525    1.4139 N   0  0  0  0  0
    7.5519    6.6566    2.6289 C   0  0  0  0  0
    8.5384    7.8385    2.5580 C   0  0  0  0  0
    6.1228    7.2229    2.6850 C   0  0  0  0  0
    7.8487    5.8550    3.9066 C   0  0  0  0  0
    8.5776    3.6183   -0.2776 O   0  0  0  0  0
    2.1749    0.1704    3.6731 H   0  0  0  0  0
    3.8635   -0.1348    4.1143 H   0  0  0  0  0
    3.0089   -1.2591    3.0398 H   0  0  0  0  0
    3.6837    1.6610    2.3807 H   0  0  0  0  0
    2.8158    0.5741    1.3171 H   0  0  0  0  0
    4.7876   -0.9455    1.1980 H   0  0  0  0  0
    5.6991    0.1017    2.2904 H   0  0  0  0  0
    6.2692    2.2648   -1.2261 H   0  0  0  0  0
    6.8936    4.5953   -0.8992 H   0  0  0  0  0
    7.2398    3.9428    2.0852 H   0  0  0  0  0
    5.8980    4.8598    1.3712 H   0  0  0  0  0
    7.6618    6.4357    0.5849 H   0  0  0  0  0
    9.5775    7.4912    2.5163 H   0  0  0  0  0
    8.4432    8.4856    3.4379 H   0  0  0  0  0
    8.3576    8.4608    1.6733 H   0  0  0  0  0
    5.3741    6.4371    2.8296 H   0  0  0  0  0
    5.8717    7.7642    1.7656 H   0  0  0  0  0
    6.0135    7.9252    3.5197 H   0  0  0  0  0
    7.1267    5.0460    4.0608 H   0  0  0  0  0
    7.8018    6.4992    4.7925 H   0  0  0  0  0
    8.8513    5.4129    3.8750 H   0  0  0  0  0
    8.9559    3.4523    0.6052 H   0  0  0  0  0
  1  2  1  0  0  0
  1 15  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  2  3  1  0  0  0
  2 18  1  0  0  0
  2 19  1  0  0  0
  3  4  1  0  0  0
  3 20  1  0  0  0
  3 21  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  6 22  1  0  0  0
  7 14  1  0  0  0
  7  8  1  0  0  0
  7 23  1  0  0  0
  8  9  1  0  0  0
  8 24  1  0  0  0
  8 25  1  0  0  0
  9 10  1  0  0  0
  9 26  1  0  0  0
 10 13  1  0  0  0
 10 12  1  0  0  0
 10 11  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
 13 34  1  0  0  0
 13 35  1  0  0  0
 14 36  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1178755

>  <PubChem CID>
10442852

>  <Formula>
C10H22N2O2

>  <Molecular Weight>
202.298000

>  <IUPAC Name>
(3E)-1-(tert-butylamino)-3-propoxyiminopropan-2-ol

>  <XlogP>
1.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

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

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

>  <InChI Std. ID>
InChI=1S/C10H22N2O2/c1-5-6-14-12-8-9(13)7-11-10(2,3)4/h8-9,11,13H,5-7H2,1-4H3/b12-8+

>  <InChI Key>
SMJOAFHPQBEWCA-XYOKQWHBSA-N

