1-(2-aminoethyl)-3-ethoxy-2-methylpyridin-4-one

C10H16N2O2 — CID 82063237

IUPAC1-(2-aminoethyl)-3-ethoxy-2-methylpyridin-4-one
SMILESCCOc1c(C)n(CCN)ccc1=O
InChIInChI=1S/C10H16N2O2/c1-3-14-10-8(2)12(7-5-11)6-4-9(10)13/h4,6H,3,5,7,11H2,1-2H3
InChIKeySIVAGYYOPHDUAU-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.51
Rot. Bonds4

About 1-(2-aminoethyl)-3-ethoxy-2-methylpyridin-4-one

1-(2-aminoethyl)-3-ethoxy-2-methylpyridin-4-one (PubChem CID 82063237) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-(2-aminoethyl)-3-ethoxy-2-methylpyridin-4-one.

Molecular Properties

Compound Name1-(2-aminoethyl)-3-ethoxy-2-methylpyridin-4-one
PubChem CID82063237
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name1-(2-aminoethyl)-3-ethoxy-2-methylpyridin-4-one
SMILESCCOc1c(C)n(CCN)ccc1=O
InChIInChI=1S/C10H16N2O2/c1-3-14-10-8(2)12(7-5-11)6-4-9(10)13/h4,6H,3,5,7,11H2,1-2H3
InChIKeySIVAGYYOPHDUAU-UHFFFAOYSA-N
XLogP0.51
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-3-ethoxy-2-methylpyridin-4-one?
The IUPAC name of 1-(2-aminoethyl)-3-ethoxy-2-methylpyridin-4-one (CID 82063237) is 1-(2-aminoethyl)-3-ethoxy-2-methylpyridin-4-one.
What is the SMILES notation for 1-(2-aminoethyl)-3-ethoxy-2-methylpyridin-4-one?
The canonical SMILES for 1-(2-aminoethyl)-3-ethoxy-2-methylpyridin-4-one is CCOc1c(C)n(CCN)ccc1=O.
What is the InChIKey of 1-(2-aminoethyl)-3-ethoxy-2-methylpyridin-4-one?
The InChIKey is SIVAGYYOPHDUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-3-14-10-8(2)12(7-5-11)6-4-9(10)13/h4,6H,3,5,7,11H2,1-2H3.
What are the key properties of 1-(2-aminoethyl)-3-ethoxy-2-methylpyridin-4-one?
1-(2-aminoethyl)-3-ethoxy-2-methylpyridin-4-one has a molecular weight of 196.25 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-3-ethoxy-2-methylpyridin-4-one is sourced from PubChem (CID 82063237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).