3-(butylaminomethyl)-1-cyclopentylpyridin-2-one

C15H24N2O — CID 82526600

IUPAC3-(butylaminomethyl)-1-cyclopentylpyridin-2-one
SMILESCCCCNCc1cccn(C2CCCC2)c1=O
InChIInChI=1S/C15H24N2O/c1-2-3-10-16-12-13-7-6-11-17(15(13)18)14-8-4-5-9-14/h6-7,11,14,16H,2-5,8-10,12H2,1H3
InChIKeyVAMHDKAGQGGENT-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.85
Rot. Bonds6

About 3-(butylaminomethyl)-1-cyclopentylpyridin-2-one

3-(butylaminomethyl)-1-cyclopentylpyridin-2-one (PubChem CID 82526600) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-(butylaminomethyl)-1-cyclopentylpyridin-2-one.

Molecular Properties

Compound Name3-(butylaminomethyl)-1-cyclopentylpyridin-2-one
PubChem CID82526600
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-(butylaminomethyl)-1-cyclopentylpyridin-2-one
SMILESCCCCNCc1cccn(C2CCCC2)c1=O
InChIInChI=1S/C15H24N2O/c1-2-3-10-16-12-13-7-6-11-17(15(13)18)14-8-4-5-9-14/h6-7,11,14,16H,2-5,8-10,12H2,1H3
InChIKeyVAMHDKAGQGGENT-UHFFFAOYSA-N
XLogP2.85
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(butylaminomethyl)-1-cyclopentylpyridin-2-one?
The IUPAC name of 3-(butylaminomethyl)-1-cyclopentylpyridin-2-one (CID 82526600) is 3-(butylaminomethyl)-1-cyclopentylpyridin-2-one.
What is the SMILES notation for 3-(butylaminomethyl)-1-cyclopentylpyridin-2-one?
The canonical SMILES for 3-(butylaminomethyl)-1-cyclopentylpyridin-2-one is CCCCNCc1cccn(C2CCCC2)c1=O.
What is the InChIKey of 3-(butylaminomethyl)-1-cyclopentylpyridin-2-one?
The InChIKey is VAMHDKAGQGGENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-2-3-10-16-12-13-7-6-11-17(15(13)18)14-8-4-5-9-14/h6-7,11,14,16H,2-5,8-10,12H2,1H3.
What are the key properties of 3-(butylaminomethyl)-1-cyclopentylpyridin-2-one?
3-(butylaminomethyl)-1-cyclopentylpyridin-2-one has a molecular weight of 248.37 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butylaminomethyl)-1-cyclopentylpyridin-2-one is sourced from PubChem (CID 82526600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).