3-methyl-1-[2-(3-methylbutan-2-ylamino)ethyl]pyridin-2-one

C13H22N2O — CID 63172709

IUPAC3-methyl-1-[2-(3-methylbutan-2-ylamino)ethyl]pyridin-2-one
SMILESCc1cccn(CCNC(C)C(C)C)c1=O
InChIInChI=1S/C13H22N2O/c1-10(2)12(4)14-7-9-15-8-5-6-11(3)13(15)16/h5-6,8,10,12,14H,7,9H2,1-4H3
InChIKeyZWYMENAUDUALSZ-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.79
Rot. Bonds5

About 3-methyl-1-[2-(3-methylbutan-2-ylamino)ethyl]pyridin-2-one

3-methyl-1-[2-(3-methylbutan-2-ylamino)ethyl]pyridin-2-one (PubChem CID 63172709) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 3-methyl-1-[2-(3-methylbutan-2-ylamino)ethyl]pyridin-2-one.

Molecular Properties

Compound Name3-methyl-1-[2-(3-methylbutan-2-ylamino)ethyl]pyridin-2-one
PubChem CID63172709
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name3-methyl-1-[2-(3-methylbutan-2-ylamino)ethyl]pyridin-2-one
SMILESCc1cccn(CCNC(C)C(C)C)c1=O
InChIInChI=1S/C13H22N2O/c1-10(2)12(4)14-7-9-15-8-5-6-11(3)13(15)16/h5-6,8,10,12,14H,7,9H2,1-4H3
InChIKeyZWYMENAUDUALSZ-UHFFFAOYSA-N
XLogP1.79
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-(3-methylbutyl)pyridin-2-one
CID 59562300
3-methyl-1-[2-(2-methylanilino)ethyl]pyridin-2-one
CID 63172575
3-methyl-1-[3-(methylamino)propyl]pyridin-2-one
CID 63172327
3-methyl-1-[2-(4-methylanilino)ethyl]pyridin-2-one
CID 63172665
ethane;3-methyl-1-propylpyridin-2-one
CID 177013538
1-(2-fluoroethyl)-3-methylpyridin-2-one
CID 116621496
1-[2-(benzylamino)ethyl]-3-methylpyridin-2-one
CID 63172535
1-(4-aminopentyl)-3-methylpyridin-2-one
CID 63172460
1-[4-(ethylamino)butyl]-3-methylpyridin-2-one
CID 63172843
3-methyl-1-[2-(3-methylbutoxy)ethyl]pyridin-2-one
CID 116621447
1-(4-bromobutyl)-3-methylpyridin-2-one
CID 63172457
5-(3-methyl-2-oxo-1-pyridinyl)pentanenitrile
CID 63172292

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-(3-methylbutan-2-ylamino)ethyl]pyridin-2-one?
The IUPAC name of 3-methyl-1-[2-(3-methylbutan-2-ylamino)ethyl]pyridin-2-one (CID 63172709) is 3-methyl-1-[2-(3-methylbutan-2-ylamino)ethyl]pyridin-2-one.
What is the SMILES notation for 3-methyl-1-[2-(3-methylbutan-2-ylamino)ethyl]pyridin-2-one?
The canonical SMILES for 3-methyl-1-[2-(3-methylbutan-2-ylamino)ethyl]pyridin-2-one is Cc1cccn(CCNC(C)C(C)C)c1=O.
What is the InChIKey of 3-methyl-1-[2-(3-methylbutan-2-ylamino)ethyl]pyridin-2-one?
The InChIKey is ZWYMENAUDUALSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-10(2)12(4)14-7-9-15-8-5-6-11(3)13(15)16/h5-6,8,10,12,14H,7,9H2,1-4H3.
What are the key properties of 3-methyl-1-[2-(3-methylbutan-2-ylamino)ethyl]pyridin-2-one?
3-methyl-1-[2-(3-methylbutan-2-ylamino)ethyl]pyridin-2-one has a molecular weight of 222.33 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-(3-methylbutan-2-ylamino)ethyl]pyridin-2-one is sourced from PubChem (CID 63172709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).