3-(aminomethyl)-1-(3-methylbutyl)pyridin-2-one

C11H18N2O — CID 82186492

IUPAC3-(aminomethyl)-1-(3-methylbutyl)pyridin-2-one
SMILESCC(C)CCn1cccc(CN)c1=O
InChIInChI=1S/C11H18N2O/c1-9(2)5-7-13-6-3-4-10(8-12)11(13)14/h3-4,6,9H,5,7-8,12H2,1-2H3
InChIKeyWNLAXRTWMJTZOE-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.35
Rot. Bonds4

About 3-(aminomethyl)-1-(3-methylbutyl)pyridin-2-one

3-(aminomethyl)-1-(3-methylbutyl)pyridin-2-one (PubChem CID 82186492) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 3-(aminomethyl)-1-(3-methylbutyl)pyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-1-(3-methylbutyl)pyridin-2-one
PubChem CID82186492
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name3-(aminomethyl)-1-(3-methylbutyl)pyridin-2-one
SMILESCC(C)CCn1cccc(CN)c1=O
InChIInChI=1S/C11H18N2O/c1-9(2)5-7-13-6-3-4-10(8-12)11(13)14/h3-4,6,9H,5,7-8,12H2,1-2H3
InChIKeyWNLAXRTWMJTZOE-UHFFFAOYSA-N
XLogP1.35
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-(3-methylbutyl)pyridin-2-one?
The IUPAC name of 3-(aminomethyl)-1-(3-methylbutyl)pyridin-2-one (CID 82186492) is 3-(aminomethyl)-1-(3-methylbutyl)pyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-1-(3-methylbutyl)pyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-1-(3-methylbutyl)pyridin-2-one is CC(C)CCn1cccc(CN)c1=O.
What is the InChIKey of 3-(aminomethyl)-1-(3-methylbutyl)pyridin-2-one?
The InChIKey is WNLAXRTWMJTZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-9(2)5-7-13-6-3-4-10(8-12)11(13)14/h3-4,6,9H,5,7-8,12H2,1-2H3.
What are the key properties of 3-(aminomethyl)-1-(3-methylbutyl)pyridin-2-one?
3-(aminomethyl)-1-(3-methylbutyl)pyridin-2-one has a molecular weight of 194.28 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-(3-methylbutyl)pyridin-2-one is sourced from PubChem (CID 82186492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).