1-butan-2-yl-6-methyl-3-(methylaminomethyl)pyridin-2-one

C12H20N2O — CID 82525099

IUPAC1-butan-2-yl-6-methyl-3-(methylaminomethyl)pyridin-2-one
SMILESCCC(C)n1c(C)ccc(CNC)c1=O
InChIInChI=1S/C12H20N2O/c1-5-9(2)14-10(3)6-7-11(8-13-4)12(14)15/h6-7,9,13H,5,8H2,1-4H3
InChIKeyPHLCPOHHXAOFCJ-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.85
Rot. Bonds4

About 1-butan-2-yl-6-methyl-3-(methylaminomethyl)pyridin-2-one

1-butan-2-yl-6-methyl-3-(methylaminomethyl)pyridin-2-one (PubChem CID 82525099) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-butan-2-yl-6-methyl-3-(methylaminomethyl)pyridin-2-one.

Molecular Properties

Compound Name1-butan-2-yl-6-methyl-3-(methylaminomethyl)pyridin-2-one
PubChem CID82525099
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name1-butan-2-yl-6-methyl-3-(methylaminomethyl)pyridin-2-one
SMILESCCC(C)n1c(C)ccc(CNC)c1=O
InChIInChI=1S/C12H20N2O/c1-5-9(2)14-10(3)6-7-11(8-13-4)12(14)15/h6-7,9,13H,5,8H2,1-4H3
InChIKeyPHLCPOHHXAOFCJ-UHFFFAOYSA-N
XLogP1.85
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-butan-2-yl-6-(3,4-dimethylphenyl)-3-(methylaminomethyl)pyridin-2-one
CID 82520022
2-(1-butan-2-yl-6-methyl-2-oxo-3-pyridinyl)acetonitrile
CID 82525085
1-[(2S)-butan-2-yl]-2,5-dimethylpyrrole
CID 7036282
1-butan-2-yl-3-(methylaminomethyl)pyridin-2-one
CID 82526863
3-(bromomethyl)-6-methyl-1-propan-2-ylpyridin-2-one
CID 82525286
3-(bromomethyl)-1-butan-2-yl-6-propan-2-ylpyridin-2-one
CID 82524259
3-[(butan-2-ylamino)methyl]-6-methyl-1-propylpyridin-2-one
CID 82525364
3-[amino-(3,4-dimethylphenyl)methyl]-1-butan-2-yl-6-methylpyridin-2-one
CID 82525075
3-[(butan-2-ylamino)methyl]-1-butyl-6-methylpyridin-2-one
CID 82525147
6-(2,5-dimethylphenyl)-3-(methylaminomethyl)-1-(2-methylpropyl)pyridin-2-one
CID 82519825
1-butan-2-yl-6-(3,4-dimethylphenyl)-3-(sulfanylmethyl)pyridin-2-one
CID 82520018
3-(methylaminomethyl)-6-(4-methylphenyl)-1-pentylpyridin-2-one
CID 82520754

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-6-methyl-3-(methylaminomethyl)pyridin-2-one?
The IUPAC name of 1-butan-2-yl-6-methyl-3-(methylaminomethyl)pyridin-2-one (CID 82525099) is 1-butan-2-yl-6-methyl-3-(methylaminomethyl)pyridin-2-one.
What is the SMILES notation for 1-butan-2-yl-6-methyl-3-(methylaminomethyl)pyridin-2-one?
The canonical SMILES for 1-butan-2-yl-6-methyl-3-(methylaminomethyl)pyridin-2-one is CCC(C)n1c(C)ccc(CNC)c1=O.
What is the InChIKey of 1-butan-2-yl-6-methyl-3-(methylaminomethyl)pyridin-2-one?
The InChIKey is PHLCPOHHXAOFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-5-9(2)14-10(3)6-7-11(8-13-4)12(14)15/h6-7,9,13H,5,8H2,1-4H3.
What are the key properties of 1-butan-2-yl-6-methyl-3-(methylaminomethyl)pyridin-2-one?
1-butan-2-yl-6-methyl-3-(methylaminomethyl)pyridin-2-one has a molecular weight of 208.30 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-6-methyl-3-(methylaminomethyl)pyridin-2-one is sourced from PubChem (CID 82525099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).