3-(2-aminoethyl)-1-(2-methylpropyl)pyridin-2-one

C11H18N2O — CID 105448424

IUPAC3-(2-aminoethyl)-1-(2-methylpropyl)pyridin-2-one
SMILESCC(C)Cn1cccc(CCN)c1=O
InChIInChI=1S/C11H18N2O/c1-9(2)8-13-7-3-4-10(5-6-12)11(13)14/h3-4,7,9H,5-6,8,12H2,1-2H3
InChIKeyCFPLMLMJWWOFCR-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.01
Rot. Bonds4

About 3-(2-aminoethyl)-1-(2-methylpropyl)pyridin-2-one

3-(2-aminoethyl)-1-(2-methylpropyl)pyridin-2-one (PubChem CID 105448424) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 3-(2-aminoethyl)-1-(2-methylpropyl)pyridin-2-one.

Molecular Properties

Compound Name3-(2-aminoethyl)-1-(2-methylpropyl)pyridin-2-one
PubChem CID105448424
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name3-(2-aminoethyl)-1-(2-methylpropyl)pyridin-2-one
SMILESCC(C)Cn1cccc(CCN)c1=O
InChIInChI=1S/C11H18N2O/c1-9(2)8-13-7-3-4-10(5-6-12)11(13)14/h3-4,7,9H,5-6,8,12H2,1-2H3
InChIKeyCFPLMLMJWWOFCR-UHFFFAOYSA-N
XLogP1.01
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(2-methylpropyl)-2-oxo-3-pyridinyl]propanoyl chloride
CID 82526723
1-(2-methylpropyl)-3-propan-2-ylpyridin-2-one
CID 178098988
3-(3-aminopropyl)-1-ethylpyridin-2-one
CID 105438966
3-(aminomethyl)-1-(3-methylbutyl)pyridin-2-one
CID 82186492
2-[3-(2-aminoethyl)-2-oxo-1-pyridinyl]ethyl carbamate
CID 175409898
1-(2-methylpropyl)-3-nitropyridin-2-one
CID 90225152
3-[amino-(2,4-dimethylphenyl)methyl]-1-(2-methylpropyl)pyridin-2-one
CID 82526767
3-[2-(2-fluorophenyl)ethylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 62939485
3-(2-aminoethyl)-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 106934083
3-(1-ethyl-2-oxo-3-pyridinyl)propanoic acid
CID 82527174
1-(4-chlorophenyl)-4-(2-methylpropyl)pyrazine-2,3-dione
CID 30566086
1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one
CID 63810541

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-1-(2-methylpropyl)pyridin-2-one?
The IUPAC name of 3-(2-aminoethyl)-1-(2-methylpropyl)pyridin-2-one (CID 105448424) is 3-(2-aminoethyl)-1-(2-methylpropyl)pyridin-2-one.
What is the SMILES notation for 3-(2-aminoethyl)-1-(2-methylpropyl)pyridin-2-one?
The canonical SMILES for 3-(2-aminoethyl)-1-(2-methylpropyl)pyridin-2-one is CC(C)Cn1cccc(CCN)c1=O.
What is the InChIKey of 3-(2-aminoethyl)-1-(2-methylpropyl)pyridin-2-one?
The InChIKey is CFPLMLMJWWOFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-9(2)8-13-7-3-4-10(5-6-12)11(13)14/h3-4,7,9H,5-6,8,12H2,1-2H3.
What are the key properties of 3-(2-aminoethyl)-1-(2-methylpropyl)pyridin-2-one?
3-(2-aminoethyl)-1-(2-methylpropyl)pyridin-2-one has a molecular weight of 194.28 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-1-(2-methylpropyl)pyridin-2-one is sourced from PubChem (CID 105448424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).