1-[1-(aminomethyl)cyclobutyl]propan-1-one

C8H15NO — CID 116600219

IUPAC1-[1-(aminomethyl)cyclobutyl]propan-1-one
SMILESCCC(=O)C1(CN)CCC1
InChIInChI=1S/C8H15NO/c1-2-7(10)8(6-9)4-3-5-8/h2-6,9H2,1H3
InChIKeyYHTIZTGWGLUMJS-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.09
Rot. Bonds3

About 1-[1-(aminomethyl)cyclobutyl]propan-1-one

1-[1-(aminomethyl)cyclobutyl]propan-1-one (PubChem CID 116600219) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cyclobutyl]propan-1-one.

Molecular Properties

Compound Name1-[1-(aminomethyl)cyclobutyl]propan-1-one
PubChem CID116600219
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name1-[1-(aminomethyl)cyclobutyl]propan-1-one
SMILESCCC(=O)C1(CN)CCC1
InChIInChI=1S/C8H15NO/c1-2-7(10)8(6-9)4-3-5-8/h2-6,9H2,1H3
InChIKeyYHTIZTGWGLUMJS-UHFFFAOYSA-N
XLogP1.09
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(aminomethyl)cyclopentyl]propan-1-one
CID 116600810
1-[1-(aminomethyl)cyclobutyl]butan-1-one
CID 116600255
1-[1-(aminomethyl)cyclobutyl]-4-ethylsulfonylbutan-1-one
CID 116600352
1-(aminomethyl)cyclobutane-1-carboxylic acid
CID 23405971
1-[1-(aminomethyl)cyclohexyl]-2-ethoxyethanone
CID 116600542
1-[1-(aminomethyl)cyclopentyl]-2-cyclopropylethanone
CID 116601042
1-[1-(aminomethyl)cyclohexyl]decan-1-one
CID 116600522
1-[1-(aminomethyl)cyclohexyl]-3-methylpentan-1-one
CID 116600566
1-[1-(aminomethyl)cyclopentyl]ethanone;hydrochloride
CID 86775853
1-[1-(aminomethyl)cycloheptyl]-2-cyclobutylethanone
CID 116602062
methyl 1-(aminomethyl)cyclobutane-1-carboxylate;hydrochloride
CID 43811188
1-[1-(aminomethyl)cycloheptyl]-4-ethylsulfonylbutan-1-one
CID 116602128

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cyclobutyl]propan-1-one?
The IUPAC name of 1-[1-(aminomethyl)cyclobutyl]propan-1-one (CID 116600219) is 1-[1-(aminomethyl)cyclobutyl]propan-1-one.
What is the SMILES notation for 1-[1-(aminomethyl)cyclobutyl]propan-1-one?
The canonical SMILES for 1-[1-(aminomethyl)cyclobutyl]propan-1-one is CCC(=O)C1(CN)CCC1.
What is the InChIKey of 1-[1-(aminomethyl)cyclobutyl]propan-1-one?
The InChIKey is YHTIZTGWGLUMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-2-7(10)8(6-9)4-3-5-8/h2-6,9H2,1H3.
What are the key properties of 1-[1-(aminomethyl)cyclobutyl]propan-1-one?
1-[1-(aminomethyl)cyclobutyl]propan-1-one has a molecular weight of 141.21 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)cyclobutyl]propan-1-one is sourced from PubChem (CID 116600219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).