1-methyl-N-pentan-2-ylcyclohexane-1-carboxamide

C13H25NO — CID 165121512

IUPAC1-methyl-N-pentan-2-ylcyclohexane-1-carboxamide
SMILESCCCC(C)NC(=O)C1(C)CCCCC1
InChIInChI=1S/C13H25NO/c1-4-8-11(2)14-12(15)13(3)9-6-5-7-10-13/h11H,4-10H2,1-3H3,(H,14,15)
InChIKeyVPXDCRNTZKSABB-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.26
Rot. Bonds4

About 1-methyl-N-pentan-2-ylcyclohexane-1-carboxamide

1-methyl-N-pentan-2-ylcyclohexane-1-carboxamide (PubChem CID 165121512) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-methyl-N-pentan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-methyl-N-pentan-2-ylcyclohexane-1-carboxamide
PubChem CID165121512
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-methyl-N-pentan-2-ylcyclohexane-1-carboxamide
SMILESCCCC(C)NC(=O)C1(C)CCCCC1
InChIInChI=1S/C13H25NO/c1-4-8-11(2)14-12(15)13(3)9-6-5-7-10-13/h11H,4-10H2,1-3H3,(H,14,15)
InChIKeyVPXDCRNTZKSABB-UHFFFAOYSA-N
XLogP3.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2R)-heptan-2-yl]-1-methylcyclopentane-1-carboxamide
CID 97027522
N-(4-hydroxybutan-2-yl)-1-methylcyclopentane-1-carboxamide
CID 115283457
N-(1-bromopropan-2-yl)-1-methylcyclohexane-1-carboxamide
CID 106829026
N-[(2S)-1-aminopropan-2-yl]-1-methylcyclopentane-1-carboxamide
CID 130609704
N-(4-bromopentan-2-yl)-1-methylcyclohexane-1-carboxamide
CID 106829061
N-hex-1-yn-3-yl-1-methylcyclohexane-1-carboxamide
CID 103528999
N-[(2S)-1-aminopropan-2-yl]-1-methylcyclopentane-1-carboxamide;hydrochloride
CID 130609703
1-methyl-N-pent-4-yn-2-ylcyclobutane-1-carboxamide
CID 131201588
diethyl 2-[(1-methylcyclohexanecarbonyl)amino]propanedioate
CID 106828158
1-cyano-N-pentan-2-ylcyclopentane-1-carboxamide
CID 55025382
2-[(1-methylcyclohexanecarbonyl)amino]propanoic acid
CID 21354705
N-(1-aminopentan-3-yl)-1-methylcyclohexane-1-carboxamide
CID 106825992

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-pentan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of 1-methyl-N-pentan-2-ylcyclohexane-1-carboxamide (CID 165121512) is 1-methyl-N-pentan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-methyl-N-pentan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for 1-methyl-N-pentan-2-ylcyclohexane-1-carboxamide is CCCC(C)NC(=O)C1(C)CCCCC1.
What is the InChIKey of 1-methyl-N-pentan-2-ylcyclohexane-1-carboxamide?
The InChIKey is VPXDCRNTZKSABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-4-8-11(2)14-12(15)13(3)9-6-5-7-10-13/h11H,4-10H2,1-3H3,(H,14,15).
What are the key properties of 1-methyl-N-pentan-2-ylcyclohexane-1-carboxamide?
1-methyl-N-pentan-2-ylcyclohexane-1-carboxamide has a molecular weight of 211.35 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-pentan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 165121512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).