4-[1-(dimethylamino)propan-2-yl]-1-propan-2-ylpyridin-2-one

C13H22N2O — CID 146182799

IUPAC4-[1-(dimethylamino)propan-2-yl]-1-propan-2-ylpyridin-2-one
SMILESCC(CN(C)C)c1ccn(C(C)C)c(=O)c1
InChIInChI=1S/C13H22N2O/c1-10(2)15-7-6-12(8-13(15)16)11(3)9-14(4)5/h6-8,10-11H,9H2,1-5H3
InChIKeyPJKVEZZGZSFSQF-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.09
Rot. Bonds4

About 4-[1-(dimethylamino)propan-2-yl]-1-propan-2-ylpyridin-2-one

4-[1-(dimethylamino)propan-2-yl]-1-propan-2-ylpyridin-2-one (PubChem CID 146182799) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 4-[1-(dimethylamino)propan-2-yl]-1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name4-[1-(dimethylamino)propan-2-yl]-1-propan-2-ylpyridin-2-one
PubChem CID146182799
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name4-[1-(dimethylamino)propan-2-yl]-1-propan-2-ylpyridin-2-one
SMILESCC(CN(C)C)c1ccn(C(C)C)c(=O)c1
InChIInChI=1S/C13H22N2O/c1-10(2)15-7-6-12(8-13(15)16)11(3)9-14(4)5/h6-8,10-11H,9H2,1-5H3
InChIKeyPJKVEZZGZSFSQF-UHFFFAOYSA-N
XLogP2.09
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2E,4E,6Z)-2,4,6-Decatrienoic acid dehydropiperidide
CID 131751449
(2E,4E,6E)-1-(3,4-dihydro-2H-pyridin-1-yl)deca-2,4,6-trien-1-one
CID 14427403
Pyridine, 1,2,3,4-tetrahydro-1-(1-oxo-2,4,6-decatrienyl)-, (E,E,Z)-
CID 14427404
(2E,4E,8Z)-1-(3,4-dihydro-2H-pyridin-1-yl)deca-2,4,8-trien-1-one
CID 14427408
Pyridine, 1,2,3,4-tetrahydro-1-(1-oxo-2,4,6-decatrienyl)-, (E,E,Z)-(9CI)
CID 72731314
1-(3,4-dihydro-2H-pyridin-1-yl)deca-2,4,8-trien-1-one
CID 72731316
5-Ethyl-1-propylpyridin-2-one
CID 13169254
N,1-dimethyl-N-[(2S)-4-methylpentan-2-yl]-6-oxopyridine-3-carboxamide
CID 93619252
5-Fluoro-1,3-di(propan-2-yl)pyridin-2-one
CID 89728117
4-[2-(Dimethylamino)-1-fluoroethyl]-1-propan-2-ylpyridin-2-one
CID 146182790
5-[(1-Fluoroazetidin-3-yl)methyl]-1-propan-2-ylpyridin-2-one
CID 146182791
5-[2-(3-Fluoroazetidin-1-yl)ethyl]-1-propan-2-ylpyridin-2-one
CID 146182798

Frequently Asked Questions

What is the IUPAC name of 4-[1-(dimethylamino)propan-2-yl]-1-propan-2-ylpyridin-2-one?
The IUPAC name of 4-[1-(dimethylamino)propan-2-yl]-1-propan-2-ylpyridin-2-one (CID 146182799) is 4-[1-(dimethylamino)propan-2-yl]-1-propan-2-ylpyridin-2-one.
What is the SMILES notation for 4-[1-(dimethylamino)propan-2-yl]-1-propan-2-ylpyridin-2-one?
The canonical SMILES for 4-[1-(dimethylamino)propan-2-yl]-1-propan-2-ylpyridin-2-one is CC(CN(C)C)c1ccn(C(C)C)c(=O)c1.
What is the InChIKey of 4-[1-(dimethylamino)propan-2-yl]-1-propan-2-ylpyridin-2-one?
The InChIKey is PJKVEZZGZSFSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-10(2)15-7-6-12(8-13(15)16)11(3)9-14(4)5/h6-8,10-11H,9H2,1-5H3.
What are the key properties of 4-[1-(dimethylamino)propan-2-yl]-1-propan-2-ylpyridin-2-one?
4-[1-(dimethylamino)propan-2-yl]-1-propan-2-ylpyridin-2-one has a molecular weight of 222.33 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(dimethylamino)propan-2-yl]-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 146182799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).