3-amino-1-cyclohexylhexan-1-one

C12H23NO — CID 116607761

IUPAC3-amino-1-cyclohexylhexan-1-one
SMILESCCCC(N)CC(=O)C1CCCCC1
InChIInChI=1S/C12H23NO/c1-2-6-11(13)9-12(14)10-7-4-3-5-8-10/h10-11H,2-9,13H2,1H3
InChIKeyZRFXLJOQUCAAJS-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.65
Rot. Bonds5

About 3-amino-1-cyclohexylhexan-1-one

3-amino-1-cyclohexylhexan-1-one (PubChem CID 116607761) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 3-amino-1-cyclohexylhexan-1-one.

Molecular Properties

Compound Name3-amino-1-cyclohexylhexan-1-one
PubChem CID116607761
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name3-amino-1-cyclohexylhexan-1-one
SMILESCCCC(N)CC(=O)C1CCCCC1
InChIInChI=1S/C12H23NO/c1-2-6-11(13)9-12(14)10-7-4-3-5-8-10/h10-11H,2-9,13H2,1H3
InChIKeyZRFXLJOQUCAAJS-UHFFFAOYSA-N
XLogP2.65
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-amino-1-cyclohexylhexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-1-cyclopentylhexan-1-one
CID 116607728
1-cyclohexyl-3-methylbutan-1-one
CID 4144247
3-(aminomethyl)-1-cyclohexylpentan-1-one
CID 116596160
4-(2-aminoethyl)-1-cyclohexylheptan-1-one
CID 116582773
1-cycloheptylbutan-1-one
CID 54353743
1,3-dicyclohexylpentan-1-one
CID 145376724
ethyl (2R)-2-(2-cyclohexyl-2-oxoethyl)-3-methylidene-4-oxopentanoate
CID 177480120
1-cycloheptylpentan-1-one
CID 65399298
ethyl 2-(cyclooctanecarbonyl)pentanoate
CID 83043739
5-aminooctan-3-one
CID 116607745
1-cyclohexylhexan-3-amine
CID 43370456
1-cyclohexyldecan-1-one
CID 63409715

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-cyclohexylhexan-1-one?
The IUPAC name of 3-amino-1-cyclohexylhexan-1-one (CID 116607761) is 3-amino-1-cyclohexylhexan-1-one.
What is the SMILES notation for 3-amino-1-cyclohexylhexan-1-one?
The canonical SMILES for 3-amino-1-cyclohexylhexan-1-one is CCCC(N)CC(=O)C1CCCCC1.
What is the InChIKey of 3-amino-1-cyclohexylhexan-1-one?
The InChIKey is ZRFXLJOQUCAAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-2-6-11(13)9-12(14)10-7-4-3-5-8-10/h10-11H,2-9,13H2,1H3.
What are the key properties of 3-amino-1-cyclohexylhexan-1-one?
3-amino-1-cyclohexylhexan-1-one has a molecular weight of 197.32 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-cyclohexylhexan-1-one is sourced from PubChem (CID 116607761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).