1-butyl-4,6-dimethyl-3-(propylaminomethyl)pyridin-2-one

C15H26N2O — CID 82525976

IUPAC1-butyl-4,6-dimethyl-3-(propylaminomethyl)pyridin-2-one
SMILESCCCCn1c(C)cc(C)c(CNCCC)c1=O
InChIInChI=1S/C15H26N2O/c1-5-7-9-17-13(4)10-12(3)14(15(17)18)11-16-8-6-2/h10,16H,5-9,11H2,1-4H3
InChIKeyJKFBWCACNBKKCU-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.76
Rot. Bonds7

About 1-butyl-4,6-dimethyl-3-(propylaminomethyl)pyridin-2-one

1-butyl-4,6-dimethyl-3-(propylaminomethyl)pyridin-2-one (PubChem CID 82525976) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-butyl-4,6-dimethyl-3-(propylaminomethyl)pyridin-2-one.

Molecular Properties

Compound Name1-butyl-4,6-dimethyl-3-(propylaminomethyl)pyridin-2-one
PubChem CID82525976
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-butyl-4,6-dimethyl-3-(propylaminomethyl)pyridin-2-one
SMILESCCCCn1c(C)cc(C)c(CNCCC)c1=O
InChIInChI=1S/C15H26N2O/c1-5-7-9-17-13(4)10-12(3)14(15(17)18)11-16-8-6-2/h10,16H,5-9,11H2,1-4H3
InChIKeyJKFBWCACNBKKCU-UHFFFAOYSA-N
XLogP2.76
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.76
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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Related Compounds

3-(ethylaminomethyl)-4,6-dimethyl-1-pentylpyridin-2-one
CID 82525846
1-butyl-6-methyl-3-(propylaminomethyl)pyridin-2-one
CID 82525151
1-(3-methoxypropyl)-4,6-dimethyl-3-(methylaminomethyl)pyridin-2-one
CID 82525650
1-(2-methoxyethyl)-4,6-dimethyl-3-(methylaminomethyl)pyridin-2-one
CID 82525694
3-(1-aminoethyl)-4,6-dimethyl-1-pentylpyridin-2-one
CID 82525815
1-butyl-N'-hydroxy-4,6-dimethyl-2-oxopyridine-3-carboximidamide
CID 73402979
3-[(butan-2-ylamino)methyl]-1-(2-methoxyethyl)-4,6-dimethylpyridin-2-one
CID 82525687
1-pentyl-3-(propylaminomethyl)-5,6,7,8-tetrahydroquinolin-2-one
CID 82522314
3-[amino-(4-methylphenyl)methyl]-1-butyl-4,6-dimethylpyridin-2-one
CID 82525958
3-[(butan-2-ylamino)methyl]-4,6-dimethyl-1-(2-methylpropyl)pyridin-2-one
CID 82525884
N-[(2-hexoxy-4,6-dimethyl-3-pyridinyl)methyl]propan-1-amine
CID 63489847
3-(butylaminomethyl)-1-(3-methoxypropyl)-6-methylpyridin-2-one
CID 82524753

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4,6-dimethyl-3-(propylaminomethyl)pyridin-2-one?
The IUPAC name of 1-butyl-4,6-dimethyl-3-(propylaminomethyl)pyridin-2-one (CID 82525976) is 1-butyl-4,6-dimethyl-3-(propylaminomethyl)pyridin-2-one.
What is the SMILES notation for 1-butyl-4,6-dimethyl-3-(propylaminomethyl)pyridin-2-one?
The canonical SMILES for 1-butyl-4,6-dimethyl-3-(propylaminomethyl)pyridin-2-one is CCCCn1c(C)cc(C)c(CNCCC)c1=O.
What is the InChIKey of 1-butyl-4,6-dimethyl-3-(propylaminomethyl)pyridin-2-one?
The InChIKey is JKFBWCACNBKKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-5-7-9-17-13(4)10-12(3)14(15(17)18)11-16-8-6-2/h10,16H,5-9,11H2,1-4H3.
What are the key properties of 1-butyl-4,6-dimethyl-3-(propylaminomethyl)pyridin-2-one?
1-butyl-4,6-dimethyl-3-(propylaminomethyl)pyridin-2-one has a molecular weight of 250.39 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4,6-dimethyl-3-(propylaminomethyl)pyridin-2-one is sourced from PubChem (CID 82525976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).