4-amino-N-cyclohexyl-3-methylbutanamide

C11H22N2O — CID 81070976

IUPAC4-amino-N-cyclohexyl-3-methylbutanamide
SMILESCC(CN)CC(=O)NC1CCCCC1
InChIInChI=1S/C11H22N2O/c1-9(8-12)7-11(14)13-10-5-3-2-4-6-10/h9-10H,2-8,12H2,1H3,(H,13,14)
InChIKeyUAMQPHZFBJRCOX-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.42
Rot. Bonds4

About 4-amino-N-cyclohexyl-3-methylbutanamide

4-amino-N-cyclohexyl-3-methylbutanamide (PubChem CID 81070976) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 4-amino-N-cyclohexyl-3-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-cyclohexyl-3-methylbutanamide
PubChem CID81070976
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name4-amino-N-cyclohexyl-3-methylbutanamide
SMILESCC(CN)CC(=O)NC1CCCCC1
InChIInChI=1S/C11H22N2O/c1-9(8-12)7-11(14)13-10-5-3-2-4-6-10/h9-10H,2-8,12H2,1H3,(H,13,14)
InChIKeyUAMQPHZFBJRCOX-UHFFFAOYSA-N
XLogP1.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-cyclobutyl-3-methylbutanamide
CID 81086885
4-amino-3-methyl-N-(3-methylcyclohexyl)butanamide
CID 81071155
N-cyclohexyl-3-methylbutanamide;methane
CID 161464891
4-amino-3-methyl-N-[3-(trifluoromethyl)cyclohexyl]butanamide
CID 81076103
5-(cyclobutylamino)-3-methyl-5-oxopentanoic acid
CID 62965613
(3S)-3-amino-N-cyclobutylbutanamide
CID 94423965
4-amino-3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]butanamide
CID 81075421
N-cyclopropyl-3-methylhexanamide
CID 155359047
(2S)-4-(cyclohexylamino)-4-oxo-2-propan-2-ylbutanoic acid
CID 58938741
4-(aminomethyl)-N-cyclohexylhexanamide
CID 112515401
4-amino-N-[1-(2-methoxyacetyl)piperidin-4-yl]-3-methylbutanamide
CID 81076250
4-amino-3-methyl-N-[2-(trifluoromethyl)cyclohexyl]butanamide
CID 81076180

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclohexyl-3-methylbutanamide?
The IUPAC name of 4-amino-N-cyclohexyl-3-methylbutanamide (CID 81070976) is 4-amino-N-cyclohexyl-3-methylbutanamide.
What is the SMILES notation for 4-amino-N-cyclohexyl-3-methylbutanamide?
The canonical SMILES for 4-amino-N-cyclohexyl-3-methylbutanamide is CC(CN)CC(=O)NC1CCCCC1.
What is the InChIKey of 4-amino-N-cyclohexyl-3-methylbutanamide?
The InChIKey is UAMQPHZFBJRCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-9(8-12)7-11(14)13-10-5-3-2-4-6-10/h9-10H,2-8,12H2,1H3,(H,13,14).
What are the key properties of 4-amino-N-cyclohexyl-3-methylbutanamide?
4-amino-N-cyclohexyl-3-methylbutanamide has a molecular weight of 198.31 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclohexyl-3-methylbutanamide is sourced from PubChem (CID 81070976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).