2-amino-1-cyclohexyl-3-methylpentan-1-one

C12H23NO — CID 59078548

IUPAC2-amino-1-cyclohexyl-3-methylpentan-1-one
SMILESCCC(C)C(N)C(=O)C1CCCCC1
InChIInChI=1S/C12H23NO/c1-3-9(2)11(13)12(14)10-7-5-4-6-8-10/h9-11H,3-8,13H2,1-2H3
InChIKeyJUFXPOWMDHESKA-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.51
Rot. Bonds4

About 2-amino-1-cyclohexyl-3-methylpentan-1-one

2-amino-1-cyclohexyl-3-methylpentan-1-one (PubChem CID 59078548) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-amino-1-cyclohexyl-3-methylpentan-1-one.

Molecular Properties

Compound Name2-amino-1-cyclohexyl-3-methylpentan-1-one
PubChem CID59078548
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-amino-1-cyclohexyl-3-methylpentan-1-one
SMILESCCC(C)C(N)C(=O)C1CCCCC1
InChIInChI=1S/C12H23NO/c1-3-9(2)11(13)12(14)10-7-5-4-6-8-10/h9-11H,3-8,13H2,1-2H3
InChIKeyJUFXPOWMDHESKA-UHFFFAOYSA-N
XLogP2.51
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-1-cyclopentyl-3-methylbutan-1-one
CID 174421994
2-amino-3-methyl-1-(oxolan-3-yl)pentan-1-one
CID 116552686
2-(cyclohexanecarbonyl)butanoic acid
CID 54295609
1-cyclopentyl-2-ethyl-3-methylbutan-1-one
CID 134474647
1-[(2S,3S)-2-amino-3-methylpentanoyl]piperidine-3-carboxylic acid
CID 61157542
(2S,3S)-2-amino-N-(cyclohexylmethyl)-N,3-dimethylpentanamide
CID 61162838
3-amino-1-cyclopentyl-2-methylbutan-1-one
CID 116612102
1-cyclobutyl-2-methylbutan-1-one
CID 79446135
(2S)-1-cyclobutyl-2-methylbutan-1-one
CID 142214969
2-amino-N-(cyclohexylmethyl)-N-cyclopropyl-3-methylpentanamide
CID 54873047
(2S)-2-amino-N-(cyclohexylmethyl)-N-cyclopropyl-3-methylpentanamide
CID 61174275
2-(cyclooctanecarbonylamino)-3-methylpentanoic acid
CID 65019151

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-cyclohexyl-3-methylpentan-1-one?
The IUPAC name of 2-amino-1-cyclohexyl-3-methylpentan-1-one (CID 59078548) is 2-amino-1-cyclohexyl-3-methylpentan-1-one.
What is the SMILES notation for 2-amino-1-cyclohexyl-3-methylpentan-1-one?
The canonical SMILES for 2-amino-1-cyclohexyl-3-methylpentan-1-one is CCC(C)C(N)C(=O)C1CCCCC1.
What is the InChIKey of 2-amino-1-cyclohexyl-3-methylpentan-1-one?
The InChIKey is JUFXPOWMDHESKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-9(2)11(13)12(14)10-7-5-4-6-8-10/h9-11H,3-8,13H2,1-2H3.
What are the key properties of 2-amino-1-cyclohexyl-3-methylpentan-1-one?
2-amino-1-cyclohexyl-3-methylpentan-1-one has a molecular weight of 197.32 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-cyclohexyl-3-methylpentan-1-one is sourced from PubChem (CID 59078548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).