1-butyl-6-methyl-3-(propylaminomethyl)pyridin-2-one

C14H24N2O — CID 82525151

IUPAC1-butyl-6-methyl-3-(propylaminomethyl)pyridin-2-one
SMILESCCCCn1c(C)ccc(CNCCC)c1=O
InChIInChI=1S/C14H24N2O/c1-4-6-10-16-12(3)7-8-13(14(16)17)11-15-9-5-2/h7-8,15H,4-6,9-11H2,1-3H3
InChIKeyUAKRILSJKQYPMU-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.46
Rot. Bonds7

About 1-butyl-6-methyl-3-(propylaminomethyl)pyridin-2-one

1-butyl-6-methyl-3-(propylaminomethyl)pyridin-2-one (PubChem CID 82525151) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-butyl-6-methyl-3-(propylaminomethyl)pyridin-2-one.

Molecular Properties

Compound Name1-butyl-6-methyl-3-(propylaminomethyl)pyridin-2-one
PubChem CID82525151
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-butyl-6-methyl-3-(propylaminomethyl)pyridin-2-one
SMILESCCCCn1c(C)ccc(CNCCC)c1=O
InChIInChI=1S/C14H24N2O/c1-4-6-10-16-12(3)7-8-13(14(16)17)11-15-9-5-2/h7-8,15H,4-6,9-11H2,1-3H3
InChIKeyUAKRILSJKQYPMU-UHFFFAOYSA-N
XLogP2.46
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.46
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

1-ethyl-6-methyl-3-(propylaminomethyl)pyridin-2-one
CID 82525446
3-(butylaminomethyl)-1-(3-methoxypropyl)-6-methylpyridin-2-one
CID 82524753
3-(ethylaminomethyl)-6-methyl-1-propylpyridin-2-one
CID 82525370
3-[(butan-2-ylamino)methyl]-1-butyl-6-methylpyridin-2-one
CID 82525147
3-(bromomethyl)-1-butyl-6-methylpyridin-2-one
CID 82525141
1-butyl-4,6-dimethyl-3-(propylaminomethyl)pyridin-2-one
CID 82525976
6-tert-butyl-1-propyl-3-(propylaminomethyl)pyridin-2-one
CID 82523834
1-butyl-3-[(2-methoxyethylamino)methyl]-6-propan-2-ylpyridin-2-one
CID 82524343
6-tert-butyl-1-(3-methoxypropyl)-3-(propylaminomethyl)pyridin-2-one
CID 82523460
3-[(butan-2-ylamino)methyl]-6-methyl-1-propylpyridin-2-one
CID 82525364
1-butyl-3-(ethylaminomethyl)-6-phenylpyridin-2-one
CID 82521163
6-methyl-1-[4-(propylamino)butyl]pyridin-2-one
CID 62566200

Frequently Asked Questions

What is the IUPAC name of 1-butyl-6-methyl-3-(propylaminomethyl)pyridin-2-one?
The IUPAC name of 1-butyl-6-methyl-3-(propylaminomethyl)pyridin-2-one (CID 82525151) is 1-butyl-6-methyl-3-(propylaminomethyl)pyridin-2-one.
What is the SMILES notation for 1-butyl-6-methyl-3-(propylaminomethyl)pyridin-2-one?
The canonical SMILES for 1-butyl-6-methyl-3-(propylaminomethyl)pyridin-2-one is CCCCn1c(C)ccc(CNCCC)c1=O.
What is the InChIKey of 1-butyl-6-methyl-3-(propylaminomethyl)pyridin-2-one?
The InChIKey is UAKRILSJKQYPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-4-6-10-16-12(3)7-8-13(14(16)17)11-15-9-5-2/h7-8,15H,4-6,9-11H2,1-3H3.
What are the key properties of 1-butyl-6-methyl-3-(propylaminomethyl)pyridin-2-one?
1-butyl-6-methyl-3-(propylaminomethyl)pyridin-2-one has a molecular weight of 236.36 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-6-methyl-3-(propylaminomethyl)pyridin-2-one is sourced from PubChem (CID 82525151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).