6-(methylaminomethyl)-1-(2-methylpropyl)pyridin-2-one

C11H18N2O — CID 105448431

IUPAC6-(methylaminomethyl)-1-(2-methylpropyl)pyridin-2-one
SMILESCNCc1cccc(=O)n1CC(C)C
InChIInChI=1S/C11H18N2O/c1-9(2)8-13-10(7-12-3)5-4-6-11(13)14/h4-6,9,12H,7-8H2,1-3H3
InChIKeyHOQISXVDSCGDQJ-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.22
Rot. Bonds4

About 6-(methylaminomethyl)-1-(2-methylpropyl)pyridin-2-one

6-(methylaminomethyl)-1-(2-methylpropyl)pyridin-2-one (PubChem CID 105448431) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 6-(methylaminomethyl)-1-(2-methylpropyl)pyridin-2-one.

Molecular Properties

Compound Name6-(methylaminomethyl)-1-(2-methylpropyl)pyridin-2-one
PubChem CID105448431
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name6-(methylaminomethyl)-1-(2-methylpropyl)pyridin-2-one
SMILESCNCc1cccc(=O)n1CC(C)C
InChIInChI=1S/C11H18N2O/c1-9(2)8-13-10(7-12-3)5-4-6-11(13)14/h4-6,9,12H,7-8H2,1-3H3
InChIKeyHOQISXVDSCGDQJ-UHFFFAOYSA-N
XLogP1.22
TPSA34.03 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 ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(methylaminomethyl)-1-(2-methylpropyl)pyridin-2-one?
The IUPAC name of 6-(methylaminomethyl)-1-(2-methylpropyl)pyridin-2-one (CID 105448431) is 6-(methylaminomethyl)-1-(2-methylpropyl)pyridin-2-one.
What is the SMILES notation for 6-(methylaminomethyl)-1-(2-methylpropyl)pyridin-2-one?
The canonical SMILES for 6-(methylaminomethyl)-1-(2-methylpropyl)pyridin-2-one is CNCc1cccc(=O)n1CC(C)C.
What is the InChIKey of 6-(methylaminomethyl)-1-(2-methylpropyl)pyridin-2-one?
The InChIKey is HOQISXVDSCGDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-9(2)8-13-10(7-12-3)5-4-6-11(13)14/h4-6,9,12H,7-8H2,1-3H3.
What are the key properties of 6-(methylaminomethyl)-1-(2-methylpropyl)pyridin-2-one?
6-(methylaminomethyl)-1-(2-methylpropyl)pyridin-2-one has a molecular weight of 194.28 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylaminomethyl)-1-(2-methylpropyl)pyridin-2-one is sourced from PubChem (CID 105448431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).