5-amino-1-(2,2-dimethylbutyl)-4-methylpyridin-2-one

C12H20N2O — CID 165472139

IUPAC5-amino-1-(2,2-dimethylbutyl)-4-methylpyridin-2-one
SMILESCCC(C)(C)Cn1cc(N)c(C)cc1=O
InChIInChI=1S/C12H20N2O/c1-5-12(3,4)8-14-7-10(13)9(2)6-11(14)15/h6-7H,5,8,13H2,1-4H3
InChIKeyURZBADDJAWQHHH-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.18
Rot. Bonds3

About 5-amino-1-(2,2-dimethylbutyl)-4-methylpyridin-2-one

5-amino-1-(2,2-dimethylbutyl)-4-methylpyridin-2-one (PubChem CID 165472139) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 5-amino-1-(2,2-dimethylbutyl)-4-methylpyridin-2-one.

Molecular Properties

Compound Name5-amino-1-(2,2-dimethylbutyl)-4-methylpyridin-2-one
PubChem CID165472139
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name5-amino-1-(2,2-dimethylbutyl)-4-methylpyridin-2-one
SMILESCCC(C)(C)Cn1cc(N)c(C)cc1=O
InChIInChI=1S/C12H20N2O/c1-5-12(3,4)8-14-7-10(13)9(2)6-11(14)15/h6-7H,5,8,13H2,1-4H3
InChIKeyURZBADDJAWQHHH-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2,2-dimethylbutyl)-4-methylpyridin-2-one?
The IUPAC name of 5-amino-1-(2,2-dimethylbutyl)-4-methylpyridin-2-one (CID 165472139) is 5-amino-1-(2,2-dimethylbutyl)-4-methylpyridin-2-one.
What is the SMILES notation for 5-amino-1-(2,2-dimethylbutyl)-4-methylpyridin-2-one?
The canonical SMILES for 5-amino-1-(2,2-dimethylbutyl)-4-methylpyridin-2-one is CCC(C)(C)Cn1cc(N)c(C)cc1=O.
What is the InChIKey of 5-amino-1-(2,2-dimethylbutyl)-4-methylpyridin-2-one?
The InChIKey is URZBADDJAWQHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-5-12(3,4)8-14-7-10(13)9(2)6-11(14)15/h6-7H,5,8,13H2,1-4H3.
What are the key properties of 5-amino-1-(2,2-dimethylbutyl)-4-methylpyridin-2-one?
5-amino-1-(2,2-dimethylbutyl)-4-methylpyridin-2-one has a molecular weight of 208.30 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2,2-dimethylbutyl)-4-methylpyridin-2-one is sourced from PubChem (CID 165472139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).