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

C9H17NO — CID 116600255

IUPAC1-[1-(aminomethyl)cyclobutyl]butan-1-one
SMILESCCCC(=O)C1(CN)CCC1
InChIInChI=1S/C9H17NO/c1-2-4-8(11)9(7-10)5-3-6-9/h2-7,10H2,1H3
InChIKeyQEYLMWIDRFQTFN-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.48
Rot. Bonds4

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

1-[1-(aminomethyl)cyclobutyl]butan-1-one (PubChem CID 116600255) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cyclobutyl]butan-1-one.

Molecular Properties

Compound Name1-[1-(aminomethyl)cyclobutyl]butan-1-one
PubChem CID116600255
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-[1-(aminomethyl)cyclobutyl]butan-1-one
SMILESCCCC(=O)C1(CN)CCC1
InChIInChI=1S/C9H17NO/c1-2-4-8(11)9(7-10)5-3-6-9/h2-7,10H2,1H3
InChIKeyQEYLMWIDRFQTFN-UHFFFAOYSA-N
XLogP1.48
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(aminomethyl)cyclobutyl]propan-1-one
CID 116600219
1-[1-(aminomethyl)-4-methylcyclohexyl]butan-1-one
CID 116604029
1-[1-(aminomethyl)cyclohexyl]decan-1-one
CID 116600522
1-[1-(aminomethyl)cyclopentyl]propan-1-one
CID 116600810
1-[1-(aminomethyl)cyclobutyl]-4-ethylsulfonylbutan-1-one
CID 116600352
1-[1-(aminomethyl)cycloheptyl]-4-ethylsulfonylbutan-1-one
CID 116602128
1-[1-(aminomethyl)cyclohexyl]-5-methylhexan-1-one
CID 116600664
1-(aminomethyl)cyclobutane-1-carboxylic acid
CID 23405971
1-[4-(aminomethyl)oxan-4-yl]octan-1-one
CID 116603025
1-[1-(aminomethyl)cyclohexyl]-2-ethoxyethanone
CID 116600542
1-[1-(aminomethyl)cyclopentyl]-2-cyclopropylethanone
CID 116601042
1-[1-(aminomethyl)cyclohexyl]-3-methylpentan-1-one
CID 116600566

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cyclobutyl]butan-1-one?
The IUPAC name of 1-[1-(aminomethyl)cyclobutyl]butan-1-one (CID 116600255) is 1-[1-(aminomethyl)cyclobutyl]butan-1-one.
What is the SMILES notation for 1-[1-(aminomethyl)cyclobutyl]butan-1-one?
The canonical SMILES for 1-[1-(aminomethyl)cyclobutyl]butan-1-one is CCCC(=O)C1(CN)CCC1.
What is the InChIKey of 1-[1-(aminomethyl)cyclobutyl]butan-1-one?
The InChIKey is QEYLMWIDRFQTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-2-4-8(11)9(7-10)5-3-6-9/h2-7,10H2,1H3.
What are the key properties of 1-[1-(aminomethyl)cyclobutyl]butan-1-one?
1-[1-(aminomethyl)cyclobutyl]butan-1-one has a molecular weight of 155.24 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)cyclobutyl]butan-1-one is sourced from PubChem (CID 116600255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).