Chem Nn Dimethyloctan 1 Amineoxide Dsrpl

Compound 210
  CheckMol                        TMF02:r0:m0
MF=C10H23NO MW=173.30
 12 11  0  0  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7344    1.3056   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5712    2.0603   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4688    2.6111   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0195    0.5712   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8768    1.3260   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1823    2.0807   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4879    1.3464   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7935    2.1011   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0990    1.3668   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4046    2.1215   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7102    1.3872   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  CHG  1   1  -1
M  CHG  1   2   1
M  END

N,N-dimethyloctan-1-amineOxide

₹ 0.00 0.00

Chemical Name - N,N-dimethyloctan-1-amineOxide
Mol Weight - 173.299
Smiles - CCCCCCCC[N+](C)(C)[O-]

Property Name	Property Value
Mol Name	N,N-dimethyloctan-1-amineOxide
Molweight	173.299
Monoisotopic Mass	173.177964
Clogp	2.1115
Clogs	0.442
H Acceptors	2
Total Surface Area	158.77
Relative Psa	0.034137
Polar Surface Area	17.07
Druglikeness	-34.829
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.83333
Molecular Flexibility	0.64358
Molecular Complexity	0.43944
Fragments	1
Non H Atoms	12
Non Ch Atoms	2
Electronegative Atoms	2
Rotatable Bonds	7
Sp3 Atoms	12
Symmetric Atoms	1
Acidic Oxygens	1
Smiles	CCCCCCCC[N+](C)(C)[O-]
InChIKey	InChI=1S/C10H23NO/c1-4-5-6-7-8-9-10-11(2,3)12/h4-10H2,1-3H3
InChI	RSVIRMFSJVHWJV-UHFFFAOYSA-N

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1 - N,N-dimethyloctan-1-amineOxide
2 - N,N-dimethyloctan-1-amineOxide

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N,N-dimethyloctan-1-amineOxide