CC1CC(CN(C1)CCCC#N)C
名称: 4-(3,5-dimethylpiperidin-1-yl)butanenitrile
SMILES: CC1CC(CN(C1)CCCC#N)C

Molecular Processing

Molecular formula
C11H20N2
Molecular weight
180.3
Exact mass
180.1626
XLogP
2.27
TPSA
27.03
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
13
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.909
Molar refractivity
54.23

Supplementary Information

InChIKey: CGMMXWVWRKQQJN-UHFFFAOYSA-N
同義語
SCHEMBL10746556CGMMXWVWRKQQJN-UHFFFAOYSA-NAKOS0001785254-(3,5-dimethylpiperidino)-butyronitrile
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