4-(cyclobutylmethylamino)butan-2-one

C9H17NO — CID 115235753

IUPAC4-(cyclobutylmethylamino)butan-2-one
SMILESCC(=O)CCNCC1CCC1
InChIInChI=1S/C9H17NO/c1-8(11)5-6-10-7-9-3-2-4-9/h9-10H,2-7H2,1H3
InChIKeyWIDFDKCKOKNSSZ-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.36
Rot. Bonds5

About 4-(cyclobutylmethylamino)butan-2-one

4-(cyclobutylmethylamino)butan-2-one (PubChem CID 115235753) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 4-(cyclobutylmethylamino)butan-2-one.

Molecular Properties

Compound Name4-(cyclobutylmethylamino)butan-2-one
PubChem CID115235753
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name4-(cyclobutylmethylamino)butan-2-one
SMILESCC(=O)CCNCC1CCC1
InChIInChI=1S/C9H17NO/c1-8(11)5-6-10-7-9-3-2-4-9/h9-10H,2-7H2,1H3
InChIKeyWIDFDKCKOKNSSZ-UHFFFAOYSA-N
XLogP1.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(cyclobutylmethylamino)propan-2-one
CID 115234815
4-[(1-methylpyrrolidin-3-yl)methylamino]butan-2-one
CID 115235752
3-(cyclopentylmethylamino)-N,N-diethylpropanamide
CID 62069829
1-cyclobutyl-N-(cyclobutylmethyl)methanamine
CID 54206114
N-(cyclohexylmethyl)-4-oxopentanamide
CID 60637241
4-(cyclobutylmethylamino)-2-methylbutanoic acid
CID 115220789
1-cyclobutyl-N-(cyclobutylmethyl)methanamine;hydrochloride
CID 134690905
4-(cyclobutylmethylamino)-N-cyclopropylbutanamide
CID 79393715
4-(cyclohexylmethylamino)butanoic acid
CID 24705289
3-(cyclopropylmethylamino)-N-ethylpropanamide
CID 62324185
N-(cyclobutylmethyl)-2-cyclohexylethanamine
CID 65457561
N-(cyclobutylmethyl)-3-methylsulfonylpropan-1-amine
CID 63190759

Frequently Asked Questions

What is the IUPAC name of 4-(cyclobutylmethylamino)butan-2-one?
The IUPAC name of 4-(cyclobutylmethylamino)butan-2-one (CID 115235753) is 4-(cyclobutylmethylamino)butan-2-one.
What is the SMILES notation for 4-(cyclobutylmethylamino)butan-2-one?
The canonical SMILES for 4-(cyclobutylmethylamino)butan-2-one is CC(=O)CCNCC1CCC1.
What is the InChIKey of 4-(cyclobutylmethylamino)butan-2-one?
The InChIKey is WIDFDKCKOKNSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-8(11)5-6-10-7-9-3-2-4-9/h9-10H,2-7H2,1H3.
What are the key properties of 4-(cyclobutylmethylamino)butan-2-one?
4-(cyclobutylmethylamino)butan-2-one has a molecular weight of 155.24 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclobutylmethylamino)butan-2-one is sourced from PubChem (CID 115235753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).