1-(1-aminobutan-2-yl)-2,6-dimethylpyridin-4-one

C11H18N2O — CID 79885396

IUPAC1-(1-aminobutan-2-yl)-2,6-dimethylpyridin-4-one
SMILESCCC(CN)n1c(C)cc(=O)cc1C
InChIInChI=1S/C11H18N2O/c1-4-10(7-12)13-8(2)5-11(14)6-9(13)3/h5-6,10H,4,7,12H2,1-3H3
InChIKeyGZRNXFLSCTXAOD-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.37
Rot. Bonds3

About 1-(1-aminobutan-2-yl)-2,6-dimethylpyridin-4-one

1-(1-aminobutan-2-yl)-2,6-dimethylpyridin-4-one (PubChem CID 79885396) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-(1-aminobutan-2-yl)-2,6-dimethylpyridin-4-one.

Molecular Properties

Compound Name1-(1-aminobutan-2-yl)-2,6-dimethylpyridin-4-one
PubChem CID79885396
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-(1-aminobutan-2-yl)-2,6-dimethylpyridin-4-one
SMILESCCC(CN)n1c(C)cc(=O)cc1C
InChIInChI=1S/C11H18N2O/c1-4-10(7-12)13-8(2)5-11(14)6-9(13)3/h5-6,10H,4,7,12H2,1-3H3
InChIKeyGZRNXFLSCTXAOD-UHFFFAOYSA-N
XLogP1.37
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-aminobutan-2-yl)-2,6-dimethylpyridin-4-one?
The IUPAC name of 1-(1-aminobutan-2-yl)-2,6-dimethylpyridin-4-one (CID 79885396) is 1-(1-aminobutan-2-yl)-2,6-dimethylpyridin-4-one.
What is the SMILES notation for 1-(1-aminobutan-2-yl)-2,6-dimethylpyridin-4-one?
The canonical SMILES for 1-(1-aminobutan-2-yl)-2,6-dimethylpyridin-4-one is CCC(CN)n1c(C)cc(=O)cc1C.
What is the InChIKey of 1-(1-aminobutan-2-yl)-2,6-dimethylpyridin-4-one?
The InChIKey is GZRNXFLSCTXAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-4-10(7-12)13-8(2)5-11(14)6-9(13)3/h5-6,10H,4,7,12H2,1-3H3.
What are the key properties of 1-(1-aminobutan-2-yl)-2,6-dimethylpyridin-4-one?
1-(1-aminobutan-2-yl)-2,6-dimethylpyridin-4-one has a molecular weight of 194.28 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminobutan-2-yl)-2,6-dimethylpyridin-4-one is sourced from PubChem (CID 79885396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).