3-amino-N-(2-cyanoethyl)-N-methylcyclohexane-1-carboxamide

C11H19N3O — CID 63041805

IUPAC3-amino-N-(2-cyanoethyl)-N-methylcyclohexane-1-carboxamide
SMILESCN(CCC#N)C(=O)C1CCCC(N)C1
InChIInChI=1S/C11H19N3O/c1-14(7-3-6-12)11(15)9-4-2-5-10(13)8-9/h9-10H,2-5,7-8,13H2,1H3
InChIKeyVOVJRGHHQDHGOM-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.88
Rot. Bonds3

About 3-amino-N-(2-cyanoethyl)-N-methylcyclohexane-1-carboxamide

3-amino-N-(2-cyanoethyl)-N-methylcyclohexane-1-carboxamide (PubChem CID 63041805) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-amino-N-(2-cyanoethyl)-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-cyanoethyl)-N-methylcyclohexane-1-carboxamide
PubChem CID63041805
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3-amino-N-(2-cyanoethyl)-N-methylcyclohexane-1-carboxamide
SMILESCN(CCC#N)C(=O)C1CCCC(N)C1
InChIInChI=1S/C11H19N3O/c1-14(7-3-6-12)11(15)9-4-2-5-10(13)8-9/h9-10H,2-5,7-8,13H2,1H3
InChIKeyVOVJRGHHQDHGOM-UHFFFAOYSA-N
XLogP0.88
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(2-cyanoethyl)-N-methylcyclopentane-1-carboxamide
CID 66033059
3-amino-N-methyl-N-propylcyclohexane-1-carboxamide
CID 62778074
3-[(3-aminocyclohexanecarbonyl)-methylamino]propanoic acid
CID 63046966
3-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119798090
3-amino-N-methyl-N-[2-(methylamino)-2-oxoethyl]cyclohexane-1-carboxamide
CID 62775426
3-amino-N-methyl-N-propylcyclopentane-1-carboxamide
CID 66031475
3-amino-N-methyl-N-(4-phenylbutyl)cyclohexane-1-carboxamide;hydrochloride
CID 119733701
3-amino-N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylcyclohexane-1-carboxamide
CID 119820809
3-amino-N-cyclopentyl-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119696948
3-amino-N-methyl-N-(3-phenoxypropyl)cyclohexane-1-carboxamide;hydrochloride
CID 119731934
3-amino-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]cyclohexane-1-carboxamide
CID 113267257
3-amino-N-(2-hydroxy-3-methoxypropyl)-N-methylcyclohexane-1-carboxamide
CID 62777041

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-cyanoethyl)-N-methylcyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-(2-cyanoethyl)-N-methylcyclohexane-1-carboxamide (CID 63041805) is 3-amino-N-(2-cyanoethyl)-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(2-cyanoethyl)-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-(2-cyanoethyl)-N-methylcyclohexane-1-carboxamide is CN(CCC#N)C(=O)C1CCCC(N)C1.
What is the InChIKey of 3-amino-N-(2-cyanoethyl)-N-methylcyclohexane-1-carboxamide?
The InChIKey is VOVJRGHHQDHGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-14(7-3-6-12)11(15)9-4-2-5-10(13)8-9/h9-10H,2-5,7-8,13H2,1H3.
What are the key properties of 3-amino-N-(2-cyanoethyl)-N-methylcyclohexane-1-carboxamide?
3-amino-N-(2-cyanoethyl)-N-methylcyclohexane-1-carboxamide has a molecular weight of 209.29 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-cyanoethyl)-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 63041805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).