4-amino-4-cyano-N-(cyclopentylmethyl)-N-methylcyclohexane-1-carboxamide

C15H25N3O — CID 115151311

IUPAC4-amino-4-cyano-N-(cyclopentylmethyl)-N-methylcyclohexane-1-carboxamide
SMILESCN(CC1CCCC1)C(=O)C1CCC(N)(C#N)CC1
InChIInChI=1S/C15H25N3O/c1-18(10-12-4-2-3-5-12)14(19)13-6-8-15(17,11-16)9-7-13/h12-13H,2-10,17H2,1H3
InChIKeyBWDABMJEXYCLSX-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.05
Rot. Bonds3

About 4-amino-4-cyano-N-(cyclopentylmethyl)-N-methylcyclohexane-1-carboxamide

4-amino-4-cyano-N-(cyclopentylmethyl)-N-methylcyclohexane-1-carboxamide (PubChem CID 115151311) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-amino-4-cyano-N-(cyclopentylmethyl)-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-4-cyano-N-(cyclopentylmethyl)-N-methylcyclohexane-1-carboxamide
PubChem CID115151311
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name4-amino-4-cyano-N-(cyclopentylmethyl)-N-methylcyclohexane-1-carboxamide
SMILESCN(CC1CCCC1)C(=O)C1CCC(N)(C#N)CC1
InChIInChI=1S/C15H25N3O/c1-18(10-12-4-2-3-5-12)14(19)13-6-8-15(17,11-16)9-7-13/h12-13H,2-10,17H2,1H3
InChIKeyBWDABMJEXYCLSX-UHFFFAOYSA-N
XLogP2.05
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-4-cyano-N-ethyl-N-methylcyclohexane-1-carboxamide
CID 115151274
4-amino-4-cyano-N-cyclopentyl-N-methylcyclohexane-1-carboxamide
CID 115151288
4-(aminomethyl)-N-(cyclopentylmethyl)-4-hydroxy-N-methylcyclohexane-1-carboxamide
CID 115151536
1-N,4-N-bis(cyclohexylmethyl)-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide
CID 112814425
4-[cyclopentylmethyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63783865
N-(cyclopentylmethyl)-4-(2-hydroxyethyl)-N-methylcyclohexane-1-carboxamide
CID 115151025
N-(cyclobutylmethyl)-4-(hydroxymethyl)-N-methylcyclohexane-1-carboxamide
CID 115151230
N-(cyanomethyl)-N-methylcycloheptanecarboxamide
CID 62586502
N-methyl-N-(oxan-4-ylmethyl)cyclohexanecarboxamide
CID 110752395
4-amino-4-cyano-N-methyl-N-(1H-pyrrol-3-yl)cyclohexane-1-carboxamide
CID 115151282
1-cyano-N-(cyclobutylmethyl)-N-methylcyclopentane-1-carboxamide
CID 62862227
1-cyano-N-(cyclohexylmethyl)-N-methylformamide
CID 115172422

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-cyano-N-(cyclopentylmethyl)-N-methylcyclohexane-1-carboxamide?
The IUPAC name of 4-amino-4-cyano-N-(cyclopentylmethyl)-N-methylcyclohexane-1-carboxamide (CID 115151311) is 4-amino-4-cyano-N-(cyclopentylmethyl)-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-4-cyano-N-(cyclopentylmethyl)-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-4-cyano-N-(cyclopentylmethyl)-N-methylcyclohexane-1-carboxamide is CN(CC1CCCC1)C(=O)C1CCC(N)(C#N)CC1.
What is the InChIKey of 4-amino-4-cyano-N-(cyclopentylmethyl)-N-methylcyclohexane-1-carboxamide?
The InChIKey is BWDABMJEXYCLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-18(10-12-4-2-3-5-12)14(19)13-6-8-15(17,11-16)9-7-13/h12-13H,2-10,17H2,1H3.
What are the key properties of 4-amino-4-cyano-N-(cyclopentylmethyl)-N-methylcyclohexane-1-carboxamide?
4-amino-4-cyano-N-(cyclopentylmethyl)-N-methylcyclohexane-1-carboxamide has a molecular weight of 263.38 g/mol, XLogP of 2.05, 3 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-(cyclopentylmethyl)-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 115151311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).