4-amino-4-cyano-N-cyclopentyl-N-methylcyclohexane-1-carboxamide

C14H23N3O — CID 115151288

IUPAC4-amino-4-cyano-N-cyclopentyl-N-methylcyclohexane-1-carboxamide
SMILESCN(C(=O)C1CCC(N)(C#N)CC1)C1CCCC1
InChIInChI=1S/C14H23N3O/c1-17(12-4-2-3-5-12)13(18)11-6-8-14(16,10-15)9-7-11/h11-12H,2-9,16H2,1H3
InChIKeyHXYNZEFEKMCKBS-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.80
Rot. Bonds2

About 4-amino-4-cyano-N-cyclopentyl-N-methylcyclohexane-1-carboxamide

4-amino-4-cyano-N-cyclopentyl-N-methylcyclohexane-1-carboxamide (PubChem CID 115151288) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-amino-4-cyano-N-cyclopentyl-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-4-cyano-N-cyclopentyl-N-methylcyclohexane-1-carboxamide
PubChem CID115151288
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name4-amino-4-cyano-N-cyclopentyl-N-methylcyclohexane-1-carboxamide
SMILESCN(C(=O)C1CCC(N)(C#N)CC1)C1CCCC1
InChIInChI=1S/C14H23N3O/c1-17(12-4-2-3-5-12)13(18)11-6-8-14(16,10-15)9-7-11/h11-12H,2-9,16H2,1H3
InChIKeyHXYNZEFEKMCKBS-UHFFFAOYSA-N
XLogP1.80
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-amino-4-cyano-N-cyclopentyl-N-methylcyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-4-cyano-N-(cyclopentylmethyl)-N-methylcyclohexane-1-carboxamide
CID 115151311
4-amino-4-cyano-N-ethyl-N-methylcyclohexane-1-carboxamide
CID 115151274
N-(4-cyanocyclohexyl)-N-methylcyclobutanecarboxamide
CID 115270234
4-amino-4-cyano-N-methyl-N-(1H-pyrrol-3-yl)cyclohexane-1-carboxamide
CID 115151282
4-[cyclobutyl(methyl)carbamoyl]-1-(methylamino)cyclohexane-1-carboxylic acid
CID 115151400
4-[cycloheptyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63784841
N-cyclobutyl-N-methylpiperidine-4-carboxamide
CID 115734286
N-cyclohexyl-N-methylpiperidine-4-carboxamide;hydrochloride
CID 56831937
N-cyclopentyl-N-methyl-1-sulfamoylpiperidine-4-carboxamide
CID 47184100
3-amino-N-cyclooctyl-N-methylcyclopentane-1-carboxamide
CID 119763854
3-amino-N-cyclopentyl-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119696942
3-amino-N-cyclopentyl-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119696948

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-cyano-N-cyclopentyl-N-methylcyclohexane-1-carboxamide?
The IUPAC name of 4-amino-4-cyano-N-cyclopentyl-N-methylcyclohexane-1-carboxamide (CID 115151288) is 4-amino-4-cyano-N-cyclopentyl-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-4-cyano-N-cyclopentyl-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-4-cyano-N-cyclopentyl-N-methylcyclohexane-1-carboxamide is CN(C(=O)C1CCC(N)(C#N)CC1)C1CCCC1.
What is the InChIKey of 4-amino-4-cyano-N-cyclopentyl-N-methylcyclohexane-1-carboxamide?
The InChIKey is HXYNZEFEKMCKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-17(12-4-2-3-5-12)13(18)11-6-8-14(16,10-15)9-7-11/h11-12H,2-9,16H2,1H3.
What are the key properties of 4-amino-4-cyano-N-cyclopentyl-N-methylcyclohexane-1-carboxamide?
4-amino-4-cyano-N-cyclopentyl-N-methylcyclohexane-1-carboxamide has a molecular weight of 249.36 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-cyano-N-cyclopentyl-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 115151288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).