4-(aminomethyl)-1-(2-methylpropyl)pyridin-2-one

C10H16N2O — CID 83489242

IUPAC4-(aminomethyl)-1-(2-methylpropyl)pyridin-2-one
SMILESCC(C)Cn1ccc(CN)cc1=O
InChIInChI=1S/C10H16N2O/c1-8(2)7-12-4-3-9(6-11)5-10(12)13/h3-5,8H,6-7,11H2,1-2H3
InChIKeyQGPWHIKQNYXPSV-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.96
Rot. Bonds3

About 4-(aminomethyl)-1-(2-methylpropyl)pyridin-2-one

4-(aminomethyl)-1-(2-methylpropyl)pyridin-2-one (PubChem CID 83489242) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-(aminomethyl)-1-(2-methylpropyl)pyridin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-(2-methylpropyl)pyridin-2-one
PubChem CID83489242
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name4-(aminomethyl)-1-(2-methylpropyl)pyridin-2-one
SMILESCC(C)Cn1ccc(CN)cc1=O
InChIInChI=1S/C10H16N2O/c1-8(2)7-12-4-3-9(6-11)5-10(12)13/h3-5,8H,6-7,11H2,1-2H3
InChIKeyQGPWHIKQNYXPSV-UHFFFAOYSA-N
XLogP0.96
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-(2-methylpropyl)pyridin-2-one?
The IUPAC name of 4-(aminomethyl)-1-(2-methylpropyl)pyridin-2-one (CID 83489242) is 4-(aminomethyl)-1-(2-methylpropyl)pyridin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-(2-methylpropyl)pyridin-2-one?
The canonical SMILES for 4-(aminomethyl)-1-(2-methylpropyl)pyridin-2-one is CC(C)Cn1ccc(CN)cc1=O.
What is the InChIKey of 4-(aminomethyl)-1-(2-methylpropyl)pyridin-2-one?
The InChIKey is QGPWHIKQNYXPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-8(2)7-12-4-3-9(6-11)5-10(12)13/h3-5,8H,6-7,11H2,1-2H3.
What are the key properties of 4-(aminomethyl)-1-(2-methylpropyl)pyridin-2-one?
4-(aminomethyl)-1-(2-methylpropyl)pyridin-2-one has a molecular weight of 180.25 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-(2-methylpropyl)pyridin-2-one is sourced from PubChem (CID 83489242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).