3-(butylaminomethyl)-1-cyclopentyl-6-propan-2-ylpyridin-2-one

C18H30N2O — CID 82524159

IUPAC3-(butylaminomethyl)-1-cyclopentyl-6-propan-2-ylpyridin-2-one
SMILESCCCCNCc1ccc(C(C)C)n(C2CCCC2)c1=O
InChIInChI=1S/C18H30N2O/c1-4-5-12-19-13-15-10-11-17(14(2)3)20(18(15)21)16-8-6-7-9-16/h10-11,14,16,19H,4-9,12-13H2,1-3H3
InChIKeyZCZIVSVZHLCTBH-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.98
Rot. Bonds7

About 3-(butylaminomethyl)-1-cyclopentyl-6-propan-2-ylpyridin-2-one

3-(butylaminomethyl)-1-cyclopentyl-6-propan-2-ylpyridin-2-one (PubChem CID 82524159) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 3-(butylaminomethyl)-1-cyclopentyl-6-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name3-(butylaminomethyl)-1-cyclopentyl-6-propan-2-ylpyridin-2-one
PubChem CID82524159
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name3-(butylaminomethyl)-1-cyclopentyl-6-propan-2-ylpyridin-2-one
SMILESCCCCNCc1ccc(C(C)C)n(C2CCCC2)c1=O
InChIInChI=1S/C18H30N2O/c1-4-5-12-19-13-15-10-11-17(14(2)3)20(18(15)21)16-8-6-7-9-16/h10-11,14,16,19H,4-9,12-13H2,1-3H3
InChIKeyZCZIVSVZHLCTBH-UHFFFAOYSA-N
XLogP3.98
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.98
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-cyclopentyl-6-propan-2-ylpyridin-2-one?
The IUPAC name of 3-(butylaminomethyl)-1-cyclopentyl-6-propan-2-ylpyridin-2-one (CID 82524159) is 3-(butylaminomethyl)-1-cyclopentyl-6-propan-2-ylpyridin-2-one.
What is the SMILES notation for 3-(butylaminomethyl)-1-cyclopentyl-6-propan-2-ylpyridin-2-one?
The canonical SMILES for 3-(butylaminomethyl)-1-cyclopentyl-6-propan-2-ylpyridin-2-one is CCCCNCc1ccc(C(C)C)n(C2CCCC2)c1=O.
What is the InChIKey of 3-(butylaminomethyl)-1-cyclopentyl-6-propan-2-ylpyridin-2-one?
The InChIKey is ZCZIVSVZHLCTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-5-12-19-13-15-10-11-17(14(2)3)20(18(15)21)16-8-6-7-9-16/h10-11,14,16,19H,4-9,12-13H2,1-3H3.
What are the key properties of 3-(butylaminomethyl)-1-cyclopentyl-6-propan-2-ylpyridin-2-one?
3-(butylaminomethyl)-1-cyclopentyl-6-propan-2-ylpyridin-2-one has a molecular weight of 290.45 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butylaminomethyl)-1-cyclopentyl-6-propan-2-ylpyridin-2-one is sourced from PubChem (CID 82524159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).