1-(1-amino-3-methylbutan-2-yl)-2,6-dimethylpyridin-4-one

C12H20N2O — CID 79885483

IUPAC1-(1-amino-3-methylbutan-2-yl)-2,6-dimethylpyridin-4-one
SMILESCc1cc(=O)cc(C)n1C(CN)C(C)C
InChIInChI=1S/C12H20N2O/c1-8(2)12(7-13)14-9(3)5-11(15)6-10(14)4/h5-6,8,12H,7,13H2,1-4H3
InChIKeyHTAIYXJPDKMBJE-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.62
Rot. Bonds3

About 1-(1-amino-3-methylbutan-2-yl)-2,6-dimethylpyridin-4-one

1-(1-amino-3-methylbutan-2-yl)-2,6-dimethylpyridin-4-one (PubChem CID 79885483) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-(1-amino-3-methylbutan-2-yl)-2,6-dimethylpyridin-4-one.

Molecular Properties

Compound Name1-(1-amino-3-methylbutan-2-yl)-2,6-dimethylpyridin-4-one
PubChem CID79885483
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name1-(1-amino-3-methylbutan-2-yl)-2,6-dimethylpyridin-4-one
SMILESCc1cc(=O)cc(C)n1C(CN)C(C)C
InChIInChI=1S/C12H20N2O/c1-8(2)12(7-13)14-9(3)5-11(15)6-10(14)4/h5-6,8,12H,7,13H2,1-4H3
InChIKeyHTAIYXJPDKMBJE-UHFFFAOYSA-N
XLogP1.62
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-3-methylbutan-2-yl)-2,6-dimethylpyridin-4-one?
The IUPAC name of 1-(1-amino-3-methylbutan-2-yl)-2,6-dimethylpyridin-4-one (CID 79885483) is 1-(1-amino-3-methylbutan-2-yl)-2,6-dimethylpyridin-4-one.
What is the SMILES notation for 1-(1-amino-3-methylbutan-2-yl)-2,6-dimethylpyridin-4-one?
The canonical SMILES for 1-(1-amino-3-methylbutan-2-yl)-2,6-dimethylpyridin-4-one is Cc1cc(=O)cc(C)n1C(CN)C(C)C.
What is the InChIKey of 1-(1-amino-3-methylbutan-2-yl)-2,6-dimethylpyridin-4-one?
The InChIKey is HTAIYXJPDKMBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-8(2)12(7-13)14-9(3)5-11(15)6-10(14)4/h5-6,8,12H,7,13H2,1-4H3.
What are the key properties of 1-(1-amino-3-methylbutan-2-yl)-2,6-dimethylpyridin-4-one?
1-(1-amino-3-methylbutan-2-yl)-2,6-dimethylpyridin-4-one has a molecular weight of 208.30 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-3-methylbutan-2-yl)-2,6-dimethylpyridin-4-one is sourced from PubChem (CID 79885483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).