1-butan-2-yl-2-[(dimethylamino)methyl]-3-hydroxy-6-methylpyridin-4-one

C13H22N2O2 — CID 82217136

IUPAC1-butan-2-yl-2-[(dimethylamino)methyl]-3-hydroxy-6-methylpyridin-4-one
SMILESCCC(C)n1c(C)cc(=O)c(O)c1CN(C)C
InChIInChI=1S/C13H22N2O2/c1-6-9(2)15-10(3)7-12(16)13(17)11(15)8-14(4)5/h7,9,17H,6,8H2,1-5H3
InChIKeyDDJJEDHCYCPQJO-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.89
Rot. Bonds4

About 1-butan-2-yl-2-[(dimethylamino)methyl]-3-hydroxy-6-methylpyridin-4-one

1-butan-2-yl-2-[(dimethylamino)methyl]-3-hydroxy-6-methylpyridin-4-one (PubChem CID 82217136) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-butan-2-yl-2-[(dimethylamino)methyl]-3-hydroxy-6-methylpyridin-4-one.

Molecular Properties

Compound Name1-butan-2-yl-2-[(dimethylamino)methyl]-3-hydroxy-6-methylpyridin-4-one
PubChem CID82217136
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-butan-2-yl-2-[(dimethylamino)methyl]-3-hydroxy-6-methylpyridin-4-one
SMILESCCC(C)n1c(C)cc(=O)c(O)c1CN(C)C
InChIInChI=1S/C13H22N2O2/c1-6-9(2)15-10(3)7-12(16)13(17)11(15)8-14(4)5/h7,9,17H,6,8H2,1-5H3
InChIKeyDDJJEDHCYCPQJO-UHFFFAOYSA-N
XLogP1.89
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-2-[(dimethylamino)methyl]-3-hydroxy-6-methylpyridin-4-one?
The IUPAC name of 1-butan-2-yl-2-[(dimethylamino)methyl]-3-hydroxy-6-methylpyridin-4-one (CID 82217136) is 1-butan-2-yl-2-[(dimethylamino)methyl]-3-hydroxy-6-methylpyridin-4-one.
What is the SMILES notation for 1-butan-2-yl-2-[(dimethylamino)methyl]-3-hydroxy-6-methylpyridin-4-one?
The canonical SMILES for 1-butan-2-yl-2-[(dimethylamino)methyl]-3-hydroxy-6-methylpyridin-4-one is CCC(C)n1c(C)cc(=O)c(O)c1CN(C)C.
What is the InChIKey of 1-butan-2-yl-2-[(dimethylamino)methyl]-3-hydroxy-6-methylpyridin-4-one?
The InChIKey is DDJJEDHCYCPQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-6-9(2)15-10(3)7-12(16)13(17)11(15)8-14(4)5/h7,9,17H,6,8H2,1-5H3.
What are the key properties of 1-butan-2-yl-2-[(dimethylamino)methyl]-3-hydroxy-6-methylpyridin-4-one?
1-butan-2-yl-2-[(dimethylamino)methyl]-3-hydroxy-6-methylpyridin-4-one has a molecular weight of 238.33 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-2-[(dimethylamino)methyl]-3-hydroxy-6-methylpyridin-4-one is sourced from PubChem (CID 82217136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).