3-(aminomethyl)-1-cyclohexylpentan-1-one

C12H23NO — CID 116596160

IUPAC3-(aminomethyl)-1-cyclohexylpentan-1-one
SMILESCCC(CN)CC(=O)C1CCCCC1
InChIInChI=1S/C12H23NO/c1-2-10(9-13)8-12(14)11-6-4-3-5-7-11/h10-11H,2-9,13H2,1H3
InChIKeyZGCNCHGGAPHKQS-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.51
Rot. Bonds5

About 3-(aminomethyl)-1-cyclohexylpentan-1-one

3-(aminomethyl)-1-cyclohexylpentan-1-one (PubChem CID 116596160) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 3-(aminomethyl)-1-cyclohexylpentan-1-one.

Molecular Properties

Compound Name3-(aminomethyl)-1-cyclohexylpentan-1-one
PubChem CID116596160
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name3-(aminomethyl)-1-cyclohexylpentan-1-one
SMILESCCC(CN)CC(=O)C1CCCCC1
InChIInChI=1S/C12H23NO/c1-2-10(9-13)8-12(14)11-6-4-3-5-7-11/h10-11H,2-9,13H2,1H3
InChIKeyZGCNCHGGAPHKQS-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 116577015
6-amino-1-cycloheptyl-4-ethylhexan-1-one
CID 116578325
1,3-dicyclohexylpentan-1-one
CID 145376724
1-cyclohexyl-3-methylbutan-1-one
CID 4144247
1-[3-(aminomethyl)pentanoyl]azepane-2-carboxylic acid
CID 81079150
3-amino-1-cyclohexylhexan-1-one
CID 116607761
3-(aminomethyl)-N-(1-cyclohexylethyl)pentanamide
CID 81086978
3-ethyl-1-(oxan-4-yl)pentan-1-one
CID 82919619
3-(aminomethyl)-N-(2-ethylcyclohexyl)pentanamide
CID 81076013
3-(aminomethyl)-N-cyclohexyl-N-(2-hydroxyethyl)pentanamide
CID 81086894
2-(cyclohexanecarbonyloxymethyl)butyl cyclohexanecarboxylate
CID 71034166
3-(aminomethyl)-1-pyrrolidin-1-ylpentan-1-one
CID 81070854

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-cyclohexylpentan-1-one?
The IUPAC name of 3-(aminomethyl)-1-cyclohexylpentan-1-one (CID 116596160) is 3-(aminomethyl)-1-cyclohexylpentan-1-one.
What is the SMILES notation for 3-(aminomethyl)-1-cyclohexylpentan-1-one?
The canonical SMILES for 3-(aminomethyl)-1-cyclohexylpentan-1-one is CCC(CN)CC(=O)C1CCCCC1.
What is the InChIKey of 3-(aminomethyl)-1-cyclohexylpentan-1-one?
The InChIKey is ZGCNCHGGAPHKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-2-10(9-13)8-12(14)11-6-4-3-5-7-11/h10-11H,2-9,13H2,1H3.
What are the key properties of 3-(aminomethyl)-1-cyclohexylpentan-1-one?
3-(aminomethyl)-1-cyclohexylpentan-1-one has a molecular weight of 197.32 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-cyclohexylpentan-1-one is sourced from PubChem (CID 116596160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).