1-[1-(aminomethyl)cyclohexyl]-3-methylpentan-1-one

C13H25NO — CID 116600566

IUPAC1-[1-(aminomethyl)cyclohexyl]-3-methylpentan-1-one
SMILESCCC(C)CC(=O)C1(CN)CCCCC1
InChIInChI=1S/C13H25NO/c1-3-11(2)9-12(15)13(10-14)7-5-4-6-8-13/h11H,3-10,14H2,1-2H3
InChIKeyYEMRIMBFJJOAME-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.90
Rot. Bonds5

About 1-[1-(aminomethyl)cyclohexyl]-3-methylpentan-1-one

1-[1-(aminomethyl)cyclohexyl]-3-methylpentan-1-one (PubChem CID 116600566) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cyclohexyl]-3-methylpentan-1-one.

Molecular Properties

Compound Name1-[1-(aminomethyl)cyclohexyl]-3-methylpentan-1-one
PubChem CID116600566
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-[1-(aminomethyl)cyclohexyl]-3-methylpentan-1-one
SMILESCCC(C)CC(=O)C1(CN)CCCCC1
InChIInChI=1S/C13H25NO/c1-3-11(2)9-12(15)13(10-14)7-5-4-6-8-13/h11H,3-10,14H2,1-2H3
InChIKeyYEMRIMBFJJOAME-UHFFFAOYSA-N
XLogP2.90
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[1-(aminomethyl)cyclohexyl]-3-methylpentan-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

1-[1-(aminomethyl)cyclopentyl]propan-1-one
CID 116600810
1-[1-(aminomethyl)cyclohexyl]-2-ethoxyethanone
CID 116600542
1-[1-(aminomethyl)cyclohexyl]-4-methylhexan-2-one
CID 116614308
1-[1-(dimethylamino)cycloheptyl]-3-methylpentan-1-one
CID 79074849
1-(1-methoxycyclohexyl)-3-methylpentan-1-one
CID 116748049
1-[1-(aminomethyl)cyclobutyl]propan-1-one
CID 116600219
1-[1-(aminomethyl)cyclohexyl]-5-methylhexan-1-one
CID 116600664
1-[1-(aminomethyl)cyclohexyl]decan-1-one
CID 116600522
1-[1-(aminomethyl)cyclohexyl]-2-methylpentan-1-one
CID 107890311
1-[1-(aminomethyl)cycloheptyl]-2-methylpentan-1-one
CID 107890324
1-[1-(aminomethyl)cyclobutyl]butan-1-one
CID 116600255
1-[1-(aminomethyl)cycloheptyl]-4-ethylsulfonylbutan-1-one
CID 116602128

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cyclohexyl]-3-methylpentan-1-one?
The IUPAC name of 1-[1-(aminomethyl)cyclohexyl]-3-methylpentan-1-one (CID 116600566) is 1-[1-(aminomethyl)cyclohexyl]-3-methylpentan-1-one.
What is the SMILES notation for 1-[1-(aminomethyl)cyclohexyl]-3-methylpentan-1-one?
The canonical SMILES for 1-[1-(aminomethyl)cyclohexyl]-3-methylpentan-1-one is CCC(C)CC(=O)C1(CN)CCCCC1.
What is the InChIKey of 1-[1-(aminomethyl)cyclohexyl]-3-methylpentan-1-one?
The InChIKey is YEMRIMBFJJOAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-11(2)9-12(15)13(10-14)7-5-4-6-8-13/h11H,3-10,14H2,1-2H3.
What are the key properties of 1-[1-(aminomethyl)cyclohexyl]-3-methylpentan-1-one?
1-[1-(aminomethyl)cyclohexyl]-3-methylpentan-1-one has a molecular weight of 211.35 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)cyclohexyl]-3-methylpentan-1-one is sourced from PubChem (CID 116600566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).