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

C13H22N2O — CID 79884850

IUPAC1-(1-amino-4-methylpentan-2-yl)-2,6-dimethylpyridin-4-one
SMILESCc1cc(=O)cc(C)n1C(CN)CC(C)C
InChIInChI=1S/C13H22N2O/c1-9(2)5-12(8-14)15-10(3)6-13(16)7-11(15)4/h6-7,9,12H,5,8,14H2,1-4H3
InChIKeyZVRRMXOGBLICMB-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.01
Rot. Bonds4

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

1-(1-amino-4-methylpentan-2-yl)-2,6-dimethylpyridin-4-one (PubChem CID 79884850) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-(1-amino-4-methylpentan-2-yl)-2,6-dimethylpyridin-4-one.

Molecular Properties

Compound Name1-(1-amino-4-methylpentan-2-yl)-2,6-dimethylpyridin-4-one
PubChem CID79884850
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-(1-amino-4-methylpentan-2-yl)-2,6-dimethylpyridin-4-one
SMILESCc1cc(=O)cc(C)n1C(CN)CC(C)C
InChIInChI=1S/C13H22N2O/c1-9(2)5-12(8-14)15-10(3)6-13(16)7-11(15)4/h6-7,9,12H,5,8,14H2,1-4H3
InChIKeyZVRRMXOGBLICMB-UHFFFAOYSA-N
XLogP2.01
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1-amino-4-methylpentan-2-yl)-2,6-dimethylpyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-4-methylpentan-2-yl)-2,6-dimethylpyridin-4-one?
The IUPAC name of 1-(1-amino-4-methylpentan-2-yl)-2,6-dimethylpyridin-4-one (CID 79884850) is 1-(1-amino-4-methylpentan-2-yl)-2,6-dimethylpyridin-4-one.
What is the SMILES notation for 1-(1-amino-4-methylpentan-2-yl)-2,6-dimethylpyridin-4-one?
The canonical SMILES for 1-(1-amino-4-methylpentan-2-yl)-2,6-dimethylpyridin-4-one is Cc1cc(=O)cc(C)n1C(CN)CC(C)C.
What is the InChIKey of 1-(1-amino-4-methylpentan-2-yl)-2,6-dimethylpyridin-4-one?
The InChIKey is ZVRRMXOGBLICMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-9(2)5-12(8-14)15-10(3)6-13(16)7-11(15)4/h6-7,9,12H,5,8,14H2,1-4H3.
What are the key properties of 1-(1-amino-4-methylpentan-2-yl)-2,6-dimethylpyridin-4-one?
1-(1-amino-4-methylpentan-2-yl)-2,6-dimethylpyridin-4-one has a molecular weight of 222.33 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-4-methylpentan-2-yl)-2,6-dimethylpyridin-4-one is sourced from PubChem (CID 79884850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).