3-(1-aminoethyl)-1-ethyl-4,6-dimethylpyridin-2-one

C11H18N2O — CID 82526155

IUPAC3-(1-aminoethyl)-1-ethyl-4,6-dimethylpyridin-2-one
SMILESCCn1c(C)cc(C)c(C(C)N)c1=O
InChIInChI=1S/C11H18N2O/c1-5-13-8(3)6-7(2)10(9(4)12)11(13)14/h6,9H,5,12H2,1-4H3
InChIKeyRSQVCGDFBHUSEE-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.50
Rot. Bonds2

About 3-(1-aminoethyl)-1-ethyl-4,6-dimethylpyridin-2-one

3-(1-aminoethyl)-1-ethyl-4,6-dimethylpyridin-2-one (PubChem CID 82526155) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 3-(1-aminoethyl)-1-ethyl-4,6-dimethylpyridin-2-one.

Molecular Properties

Compound Name3-(1-aminoethyl)-1-ethyl-4,6-dimethylpyridin-2-one
PubChem CID82526155
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name3-(1-aminoethyl)-1-ethyl-4,6-dimethylpyridin-2-one
SMILESCCn1c(C)cc(C)c(C(C)N)c1=O
InChIInChI=1S/C11H18N2O/c1-5-13-8(3)6-7(2)10(9(4)12)11(13)14/h6,9H,5,12H2,1-4H3
InChIKeyRSQVCGDFBHUSEE-UHFFFAOYSA-N
XLogP1.50
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 ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethyl)-1-ethyl-4,6-dimethylpyridin-2-one?
The IUPAC name of 3-(1-aminoethyl)-1-ethyl-4,6-dimethylpyridin-2-one (CID 82526155) is 3-(1-aminoethyl)-1-ethyl-4,6-dimethylpyridin-2-one.
What is the SMILES notation for 3-(1-aminoethyl)-1-ethyl-4,6-dimethylpyridin-2-one?
The canonical SMILES for 3-(1-aminoethyl)-1-ethyl-4,6-dimethylpyridin-2-one is CCn1c(C)cc(C)c(C(C)N)c1=O.
What is the InChIKey of 3-(1-aminoethyl)-1-ethyl-4,6-dimethylpyridin-2-one?
The InChIKey is RSQVCGDFBHUSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-5-13-8(3)6-7(2)10(9(4)12)11(13)14/h6,9H,5,12H2,1-4H3.
What are the key properties of 3-(1-aminoethyl)-1-ethyl-4,6-dimethylpyridin-2-one?
3-(1-aminoethyl)-1-ethyl-4,6-dimethylpyridin-2-one has a molecular weight of 194.28 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethyl)-1-ethyl-4,6-dimethylpyridin-2-one is sourced from PubChem (CID 82526155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).