3-amino-1-(3-methylbutyl)-6-propan-2-ylpyridin-2-one

C13H22N2O — CID 82466728

IUPAC3-amino-1-(3-methylbutyl)-6-propan-2-ylpyridin-2-one
SMILESCC(C)CCn1c(C(C)C)ccc(N)c1=O
InChIInChI=1S/C13H22N2O/c1-9(2)7-8-15-12(10(3)4)6-5-11(14)13(15)16/h5-6,9-10H,7-8,14H2,1-4H3
InChIKeyOMWKMTGACMISIM-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.60
Rot. Bonds4

About 3-amino-1-(3-methylbutyl)-6-propan-2-ylpyridin-2-one

3-amino-1-(3-methylbutyl)-6-propan-2-ylpyridin-2-one (PubChem CID 82466728) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 3-amino-1-(3-methylbutyl)-6-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name3-amino-1-(3-methylbutyl)-6-propan-2-ylpyridin-2-one
PubChem CID82466728
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name3-amino-1-(3-methylbutyl)-6-propan-2-ylpyridin-2-one
SMILESCC(C)CCn1c(C(C)C)ccc(N)c1=O
InChIInChI=1S/C13H22N2O/c1-9(2)7-8-15-12(10(3)4)6-5-11(14)13(15)16/h5-6,9-10H,7-8,14H2,1-4H3
InChIKeyOMWKMTGACMISIM-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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3-Amino-1-(2-methylpropyl)-5-(trifluoromethyl)pyridin-2-one
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3-amino-7-ethyl-5,6,8,9-tetrahydro-1H-pyrido[2,3-d]azepin-2-one
CID 18943505
N-(6-butyl-2-oxo-1H-pyridin-3-yl)-N,2-dimethylpropanamide
CID 19012345
3-Amino-4-methyl-1-(4-methylpentyl)pyridin-2-one
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3-Amino-1-butyl-5,6-dimethyl-2-pyridone
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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-methylbutyl)-6-propan-2-ylpyridin-2-one?
The IUPAC name of 3-amino-1-(3-methylbutyl)-6-propan-2-ylpyridin-2-one (CID 82466728) is 3-amino-1-(3-methylbutyl)-6-propan-2-ylpyridin-2-one.
What is the SMILES notation for 3-amino-1-(3-methylbutyl)-6-propan-2-ylpyridin-2-one?
The canonical SMILES for 3-amino-1-(3-methylbutyl)-6-propan-2-ylpyridin-2-one is CC(C)CCn1c(C(C)C)ccc(N)c1=O.
What is the InChIKey of 3-amino-1-(3-methylbutyl)-6-propan-2-ylpyridin-2-one?
The InChIKey is OMWKMTGACMISIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-9(2)7-8-15-12(10(3)4)6-5-11(14)13(15)16/h5-6,9-10H,7-8,14H2,1-4H3.
What are the key properties of 3-amino-1-(3-methylbutyl)-6-propan-2-ylpyridin-2-one?
3-amino-1-(3-methylbutyl)-6-propan-2-ylpyridin-2-one has a molecular weight of 222.33 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-methylbutyl)-6-propan-2-ylpyridin-2-one is sourced from PubChem (CID 82466728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).