1-(2-amino-2-methylpropyl)-2,6-dimethylpyridin-4-one

C11H18N2O — CID 79001863

IUPAC1-(2-amino-2-methylpropyl)-2,6-dimethylpyridin-4-one
SMILESCc1cc(=O)cc(C)n1CC(C)(C)N
InChIInChI=1S/C11H18N2O/c1-8-5-10(14)6-9(2)13(8)7-11(3,4)12/h5-6H,7,12H2,1-4H3
InChIKeyVJAUBDAVDZPZAF-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.20
Rot. Bonds2

About 1-(2-amino-2-methylpropyl)-2,6-dimethylpyridin-4-one

1-(2-amino-2-methylpropyl)-2,6-dimethylpyridin-4-one (PubChem CID 79001863) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-(2-amino-2-methylpropyl)-2,6-dimethylpyridin-4-one.

Molecular Properties

Compound Name1-(2-amino-2-methylpropyl)-2,6-dimethylpyridin-4-one
PubChem CID79001863
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-(2-amino-2-methylpropyl)-2,6-dimethylpyridin-4-one
SMILESCc1cc(=O)cc(C)n1CC(C)(C)N
InChIInChI=1S/C11H18N2O/c1-8-5-10(14)6-9(2)13(8)7-11(3,4)12/h5-6H,7,12H2,1-4H3
InChIKeyVJAUBDAVDZPZAF-UHFFFAOYSA-N
XLogP1.20
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-methylpropyl)-2,6-dimethylpyridin-4-one?
The IUPAC name of 1-(2-amino-2-methylpropyl)-2,6-dimethylpyridin-4-one (CID 79001863) is 1-(2-amino-2-methylpropyl)-2,6-dimethylpyridin-4-one.
What is the SMILES notation for 1-(2-amino-2-methylpropyl)-2,6-dimethylpyridin-4-one?
The canonical SMILES for 1-(2-amino-2-methylpropyl)-2,6-dimethylpyridin-4-one is Cc1cc(=O)cc(C)n1CC(C)(C)N.
What is the InChIKey of 1-(2-amino-2-methylpropyl)-2,6-dimethylpyridin-4-one?
The InChIKey is VJAUBDAVDZPZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-8-5-10(14)6-9(2)13(8)7-11(3,4)12/h5-6H,7,12H2,1-4H3.
What are the key properties of 1-(2-amino-2-methylpropyl)-2,6-dimethylpyridin-4-one?
1-(2-amino-2-methylpropyl)-2,6-dimethylpyridin-4-one has a molecular weight of 194.28 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-methylpropyl)-2,6-dimethylpyridin-4-one is sourced from PubChem (CID 79001863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).