1-(5-amino-4,4-dimethylpentyl)pyridin-2-one

C12H20N2O — CID 65254501

IUPAC1-(5-amino-4,4-dimethylpentyl)pyridin-2-one
SMILESCC(C)(CN)CCCn1ccccc1=O
InChIInChI=1S/C12H20N2O/c1-12(2,10-13)7-5-9-14-8-4-3-6-11(14)15/h3-4,6,8H,5,7,9-10,13H2,1-2H3
InChIKeyVTHXIVBUWGDVOG-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.61
Rot. Bonds5

About 1-(5-amino-4,4-dimethylpentyl)pyridin-2-one

1-(5-amino-4,4-dimethylpentyl)pyridin-2-one (PubChem CID 65254501) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-(5-amino-4,4-dimethylpentyl)pyridin-2-one.

Molecular Properties

Compound Name1-(5-amino-4,4-dimethylpentyl)pyridin-2-one
PubChem CID65254501
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name1-(5-amino-4,4-dimethylpentyl)pyridin-2-one
SMILESCC(C)(CN)CCCn1ccccc1=O
InChIInChI=1S/C12H20N2O/c1-12(2,10-13)7-5-9-14-8-4-3-6-11(14)15/h3-4,6,8H,5,7,9-10,13H2,1-2H3
InChIKeyVTHXIVBUWGDVOG-UHFFFAOYSA-N
XLogP1.61
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-4,4-dimethylpentyl)pyridin-2-one?
The IUPAC name of 1-(5-amino-4,4-dimethylpentyl)pyridin-2-one (CID 65254501) is 1-(5-amino-4,4-dimethylpentyl)pyridin-2-one.
What is the SMILES notation for 1-(5-amino-4,4-dimethylpentyl)pyridin-2-one?
The canonical SMILES for 1-(5-amino-4,4-dimethylpentyl)pyridin-2-one is CC(C)(CN)CCCn1ccccc1=O.
What is the InChIKey of 1-(5-amino-4,4-dimethylpentyl)pyridin-2-one?
The InChIKey is VTHXIVBUWGDVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-12(2,10-13)7-5-9-14-8-4-3-6-11(14)15/h3-4,6,8H,5,7,9-10,13H2,1-2H3.
What are the key properties of 1-(5-amino-4,4-dimethylpentyl)pyridin-2-one?
1-(5-amino-4,4-dimethylpentyl)pyridin-2-one has a molecular weight of 208.30 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-4,4-dimethylpentyl)pyridin-2-one is sourced from PubChem (CID 65254501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).