3-(butylaminomethyl)-1-(3-methoxypropyl)-6-methylpyridin-2-one

C15H26N2O2 — CID 82524753

IUPAC3-(butylaminomethyl)-1-(3-methoxypropyl)-6-methylpyridin-2-one
SMILESCCCCNCc1ccc(C)n(CCCOC)c1=O
InChIInChI=1S/C15H26N2O2/c1-4-5-9-16-12-14-8-7-13(2)17(15(14)18)10-6-11-19-3/h7-8,16H,4-6,9-12H2,1-3H3
InChIKeyVROWJGXFGCHENY-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.08
Rot. Bonds9

About 3-(butylaminomethyl)-1-(3-methoxypropyl)-6-methylpyridin-2-one

3-(butylaminomethyl)-1-(3-methoxypropyl)-6-methylpyridin-2-one (PubChem CID 82524753) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 3-(butylaminomethyl)-1-(3-methoxypropyl)-6-methylpyridin-2-one.

Molecular Properties

Compound Name3-(butylaminomethyl)-1-(3-methoxypropyl)-6-methylpyridin-2-one
PubChem CID82524753
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name3-(butylaminomethyl)-1-(3-methoxypropyl)-6-methylpyridin-2-one
SMILESCCCCNCc1ccc(C)n(CCCOC)c1=O
InChIInChI=1S/C15H26N2O2/c1-4-5-9-16-12-14-8-7-13(2)17(15(14)18)10-6-11-19-3/h7-8,16H,4-6,9-12H2,1-3H3
InChIKeyVROWJGXFGCHENY-UHFFFAOYSA-N
XLogP2.08
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-6-methyl-3-(propylaminomethyl)pyridin-2-one
CID 82525151
6-tert-butyl-1-(3-methoxypropyl)-3-(propylaminomethyl)pyridin-2-one
CID 82523460
3-[(cyclopropylamino)methyl]-1-(3-methoxypropyl)-6-methylpyridin-2-one
CID 82524754
1-butyl-3-[(2-methoxyethylamino)methyl]-6-propan-2-ylpyridin-2-one
CID 82524343
6-tert-butyl-3-[(2-methoxyethylamino)methyl]-1-(3-methoxypropyl)pyridin-2-one
CID 82523455
1-(2-methoxyethyl)-6-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-one
CID 82524808
1-ethyl-6-methyl-3-(propylaminomethyl)pyridin-2-one
CID 82525446
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
3-[(cyclopropylamino)methyl]-1-(2-methoxyethyl)-6-methylpyridin-2-one
CID 82524810
3-(aminomethyl)-1-(2-methoxyethyl)-6-methylpyridin-2-one
CID 82188978

Frequently Asked Questions

What is the IUPAC name of 3-(butylaminomethyl)-1-(3-methoxypropyl)-6-methylpyridin-2-one?
The IUPAC name of 3-(butylaminomethyl)-1-(3-methoxypropyl)-6-methylpyridin-2-one (CID 82524753) is 3-(butylaminomethyl)-1-(3-methoxypropyl)-6-methylpyridin-2-one.
What is the SMILES notation for 3-(butylaminomethyl)-1-(3-methoxypropyl)-6-methylpyridin-2-one?
The canonical SMILES for 3-(butylaminomethyl)-1-(3-methoxypropyl)-6-methylpyridin-2-one is CCCCNCc1ccc(C)n(CCCOC)c1=O.
What is the InChIKey of 3-(butylaminomethyl)-1-(3-methoxypropyl)-6-methylpyridin-2-one?
The InChIKey is VROWJGXFGCHENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-4-5-9-16-12-14-8-7-13(2)17(15(14)18)10-6-11-19-3/h7-8,16H,4-6,9-12H2,1-3H3.
What are the key properties of 3-(butylaminomethyl)-1-(3-methoxypropyl)-6-methylpyridin-2-one?
3-(butylaminomethyl)-1-(3-methoxypropyl)-6-methylpyridin-2-one has a molecular weight of 266.38 g/mol, XLogP of 2.08, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butylaminomethyl)-1-(3-methoxypropyl)-6-methylpyridin-2-one is sourced from PubChem (CID 82524753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).