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-cyclohexyl-N-propan-2-ylpropanamide
CID 4144742
3-amino-N,N-dimethylcyclohexane-1-carboxamide
CID 54593541
2-cyano-N-(2-methylcyclohexyl)acetamide
CID 3843297
n-Isopropylcyclohexanecarboxamide
CID 232390
3-amino-N-(propan-2-yl)cyclohexane-1-carboxamide
CID 18071391
rac-(1R,3S)-3-amino-N-cyclopropylcyclohexane-1-carboxamide hydrochloride
CID 165606018
3-amino-N-(propan-2-yl)cyclohexane-1-carboxamide hydrochloride
CID 167733793
3-cyclohexyl-N-(pentan-3-yl)propanamide
CID 1531256
(2S)-N-cyclohexyl-2-ethylhexanamide
CID 1722024
N-(cyclopentylmethyl)-3-(dimethylamino)cyclohexane-1-carboxamide
CID 121557094
(2S,4S)-1-[2-[(2S)-2-aminocyclohexyl]acetyl]-4-fluoropyrrolidine-2-carbonitrile
CID 69353017
5-amino-3,3-difluoro-N-propan-2-ylcyclohexane-1-carboxamide
CID 170709238

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).