2-(aminomethyl)-1-cyclobutyl-2-ethylbutan-1-one

C11H21NO — CID 116603949

IUPAC2-(aminomethyl)-1-cyclobutyl-2-ethylbutan-1-one
SMILESCCC(CC)(CN)C(=O)C1CCC1
InChIInChI=1S/C11H21NO/c1-3-11(4-2,8-12)10(13)9-6-5-7-9/h9H,3-8,12H2,1-2H3
InChIKeyIGJUGDTWDXYSKR-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.12
Rot. Bonds5

About 2-(aminomethyl)-1-cyclobutyl-2-ethylbutan-1-one

2-(aminomethyl)-1-cyclobutyl-2-ethylbutan-1-one (PubChem CID 116603949) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-(aminomethyl)-1-cyclobutyl-2-ethylbutan-1-one.

Molecular Properties

Compound Name2-(aminomethyl)-1-cyclobutyl-2-ethylbutan-1-one
PubChem CID116603949
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-(aminomethyl)-1-cyclobutyl-2-ethylbutan-1-one
SMILESCCC(CC)(CN)C(=O)C1CCC1
InChIInChI=1S/C11H21NO/c1-3-11(4-2,8-12)10(13)9-6-5-7-9/h9H,3-8,12H2,1-2H3
InChIKeyIGJUGDTWDXYSKR-UHFFFAOYSA-N
XLogP2.12
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(aminomethyl)-1-cyclobutyl-2-ethylbutan-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

2-amino-1-cycloheptyl-2-ethylbutan-1-one
CID 116592825
3-(aminomethyl)-1-cyclohexyl-3-ethylpentan-2-one
CID 116603857
2-(aminomethyl)-2-(cyclohexylmethyl)butanoic acid
CID 106487425
2-(aminomethyl)-2-ethyl-1-(2-methylpiperidin-1-yl)butan-1-one;hydrochloride
CID 120607933
2-(aminomethyl)-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-ethylbutanamide
CID 115432203
3-amino-2,2-dimethyl-1-(3-methylcyclohexyl)propan-1-one
CID 116600016
1-cyclobutyl-2-ethoxy-2-methylpropan-1-one
CID 116710085
2-(aminomethyl)-N-(2,3-dimethylcyclopentyl)-2-ethylbutanamide
CID 64909107
ethyl 2-(aminomethyl)-2-(cyclohexylmethyl)butanoate
CID 106487604
2-(aminomethyl)-N-(3-cyclopentylpropyl)-2-ethylbutanamide
CID 113322317
2-(aminomethyl)-2-methyl-1-(oxan-4-yl)butan-1-one
CID 116610851
methyl 2-(aminomethyl)-2-(cyclopropylmethyl)butanoate
CID 106489911

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-cyclobutyl-2-ethylbutan-1-one?
The IUPAC name of 2-(aminomethyl)-1-cyclobutyl-2-ethylbutan-1-one (CID 116603949) is 2-(aminomethyl)-1-cyclobutyl-2-ethylbutan-1-one.
What is the SMILES notation for 2-(aminomethyl)-1-cyclobutyl-2-ethylbutan-1-one?
The canonical SMILES for 2-(aminomethyl)-1-cyclobutyl-2-ethylbutan-1-one is CCC(CC)(CN)C(=O)C1CCC1.
What is the InChIKey of 2-(aminomethyl)-1-cyclobutyl-2-ethylbutan-1-one?
The InChIKey is IGJUGDTWDXYSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-11(4-2,8-12)10(13)9-6-5-7-9/h9H,3-8,12H2,1-2H3.
What are the key properties of 2-(aminomethyl)-1-cyclobutyl-2-ethylbutan-1-one?
2-(aminomethyl)-1-cyclobutyl-2-ethylbutan-1-one has a molecular weight of 183.29 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-cyclobutyl-2-ethylbutan-1-one is sourced from PubChem (CID 116603949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).