3-amino-4-cyclohexylbutan-2-one

C10H19NO — CID 20668322

IUPAC3-amino-4-cyclohexylbutan-2-one
SMILESCC(=O)C(N)CC1CCCCC1
InChIInChI=1S/C10H19NO/c1-8(12)10(11)7-9-5-3-2-4-6-9/h9-10H,2-7,11H2,1H3
InChIKeyJWWIGBBQAPKYGN-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.87
Rot. Bonds3

About 3-amino-4-cyclohexylbutan-2-one

3-amino-4-cyclohexylbutan-2-one (PubChem CID 20668322) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-amino-4-cyclohexylbutan-2-one.

Molecular Properties

Compound Name3-amino-4-cyclohexylbutan-2-one
PubChem CID20668322
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-amino-4-cyclohexylbutan-2-one
SMILESCC(=O)C(N)CC1CCCCC1
InChIInChI=1S/C10H19NO/c1-8(12)10(11)7-9-5-3-2-4-6-9/h9-10H,2-7,11H2,1H3
InChIKeyJWWIGBBQAPKYGN-UHFFFAOYSA-N
XLogP1.87
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-1-cyclohexyl-4,4-dimethylpentan-3-one
CID 121368311
2-amino-3-cyclohexyl-N,N-dimethylpropanamide
CID 83618462
2-amino-3-cyclohexylpropanoic acid;2-amino-4,4-dimethylpentanoic acid
CID 175070006
4-amino-5-cyclobutylpentane-2,3-dione
CID 59655547
ethyl (2S)-2-amino-3-cyclohexylpropanoate;hydrochloride
CID 67876797
tert-butyl 2-amino-3-cyclohexylpropanoate
CID 20814860
(2R)-2-amino-3-cyclohexyl-N-methylidenepropanamide
CID 166777668
2-amino-3-cyclobutylpropanamide
CID 65458295
2-amino-3-cyclopropylpropanoic acid
CID 519178
methyl 2-[(2-amino-3-cyclohexylpropanoyl)amino]-3-cyclohexylpropanoate
CID 171080468
methyl (2S)-2-amino-3-cyclobutylpropanoate;hydrochloride
CID 137346923
3-amino-4-(3,3-difluorocyclobutyl)butan-2-one
CID 142882728

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyclohexylbutan-2-one?
The IUPAC name of 3-amino-4-cyclohexylbutan-2-one (CID 20668322) is 3-amino-4-cyclohexylbutan-2-one.
What is the SMILES notation for 3-amino-4-cyclohexylbutan-2-one?
The canonical SMILES for 3-amino-4-cyclohexylbutan-2-one is CC(=O)C(N)CC1CCCCC1.
What is the InChIKey of 3-amino-4-cyclohexylbutan-2-one?
The InChIKey is JWWIGBBQAPKYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-8(12)10(11)7-9-5-3-2-4-6-9/h9-10H,2-7,11H2,1H3.
What are the key properties of 3-amino-4-cyclohexylbutan-2-one?
3-amino-4-cyclohexylbutan-2-one has a molecular weight of 169.27 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-cyclohexylbutan-2-one is sourced from PubChem (CID 20668322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).