1-(2-aminopropyl)-3-methylpyridin-4-one

C9H14N2O — CID 130576959

IUPAC1-(2-aminopropyl)-3-methylpyridin-4-one
SMILESCc1cn(CC(C)N)ccc1=O
InChIInChI=1S/C9H14N2O/c1-7-5-11(6-8(2)10)4-3-9(7)12/h3-5,8H,6,10H2,1-2H3
InChIKeyWGTWBEHHPPNYNR-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.50
Rot. Bonds2

About 1-(2-aminopropyl)-3-methylpyridin-4-one

1-(2-aminopropyl)-3-methylpyridin-4-one (PubChem CID 130576959) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-(2-aminopropyl)-3-methylpyridin-4-one.

Molecular Properties

Compound Name1-(2-aminopropyl)-3-methylpyridin-4-one
PubChem CID130576959
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name1-(2-aminopropyl)-3-methylpyridin-4-one
SMILESCc1cn(CC(C)N)ccc1=O
InChIInChI=1S/C9H14N2O/c1-7-5-11(6-8(2)10)4-3-9(7)12/h3-5,8H,6,10H2,1-2H3
InChIKeyWGTWBEHHPPNYNR-UHFFFAOYSA-N
XLogP0.50
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminopropyl)-3-methylpyridin-4-one?
The IUPAC name of 1-(2-aminopropyl)-3-methylpyridin-4-one (CID 130576959) is 1-(2-aminopropyl)-3-methylpyridin-4-one.
What is the SMILES notation for 1-(2-aminopropyl)-3-methylpyridin-4-one?
The canonical SMILES for 1-(2-aminopropyl)-3-methylpyridin-4-one is Cc1cn(CC(C)N)ccc1=O.
What is the InChIKey of 1-(2-aminopropyl)-3-methylpyridin-4-one?
The InChIKey is WGTWBEHHPPNYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-7-5-11(6-8(2)10)4-3-9(7)12/h3-5,8H,6,10H2,1-2H3.
What are the key properties of 1-(2-aminopropyl)-3-methylpyridin-4-one?
1-(2-aminopropyl)-3-methylpyridin-4-one has a molecular weight of 166.22 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminopropyl)-3-methylpyridin-4-one is sourced from PubChem (CID 130576959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).