2-(aminomethyl)-1-methyl-5-propoxypyridin-4-one

C10H16N2O2 — CID 59300156

IUPAC2-(aminomethyl)-1-methyl-5-propoxypyridin-4-one
SMILESCCCOc1cn(C)c(CN)cc1=O
InChIInChI=1S/C10H16N2O2/c1-3-4-14-10-7-12(2)8(6-11)5-9(10)13/h5,7H,3-4,6,11H2,1-2H3
InChIKeyDIKUBJGPJVGTHX-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.63
Rot. Bonds4

About 2-(aminomethyl)-1-methyl-5-propoxypyridin-4-one

2-(aminomethyl)-1-methyl-5-propoxypyridin-4-one (PubChem CID 59300156) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-(aminomethyl)-1-methyl-5-propoxypyridin-4-one.

Molecular Properties

Compound Name2-(aminomethyl)-1-methyl-5-propoxypyridin-4-one
PubChem CID59300156
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name2-(aminomethyl)-1-methyl-5-propoxypyridin-4-one
SMILESCCCOc1cn(C)c(CN)cc1=O
InChIInChI=1S/C10H16N2O2/c1-3-4-14-10-7-12(2)8(6-11)5-9(10)13/h5,7H,3-4,6,11H2,1-2H3
InChIKeyDIKUBJGPJVGTHX-UHFFFAOYSA-N
XLogP0.63
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 ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-methyl-5-propoxypyridin-4-one?
The IUPAC name of 2-(aminomethyl)-1-methyl-5-propoxypyridin-4-one (CID 59300156) is 2-(aminomethyl)-1-methyl-5-propoxypyridin-4-one.
What is the SMILES notation for 2-(aminomethyl)-1-methyl-5-propoxypyridin-4-one?
The canonical SMILES for 2-(aminomethyl)-1-methyl-5-propoxypyridin-4-one is CCCOc1cn(C)c(CN)cc1=O.
What is the InChIKey of 2-(aminomethyl)-1-methyl-5-propoxypyridin-4-one?
The InChIKey is DIKUBJGPJVGTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-3-4-14-10-7-12(2)8(6-11)5-9(10)13/h5,7H,3-4,6,11H2,1-2H3.
What are the key properties of 2-(aminomethyl)-1-methyl-5-propoxypyridin-4-one?
2-(aminomethyl)-1-methyl-5-propoxypyridin-4-one has a molecular weight of 196.25 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-methyl-5-propoxypyridin-4-one is sourced from PubChem (CID 59300156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).