5-[(dimethylamino)methyl]-1-propan-2-ylpyridin-2-one;ethane

C13H24N2O — CID 143160769

IUPAC5-[(dimethylamino)methyl]-1-propan-2-ylpyridin-2-one;ethane
SMILESCC.CC(C)n1cc(CN(C)C)ccc1=O
InChIInChI=1S/C11H18N2O.C2H6/c1-9(2)13-8-10(7-12(3)4)5-6-11(13)14;1-2/h5-6,8-9H,7H2,1-4H3;1-2H3
InChIKeyJVMDEFDSHULUIM-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.52
Rot. Bonds3

About 5-[(dimethylamino)methyl]-1-propan-2-ylpyridin-2-one;ethane

5-[(dimethylamino)methyl]-1-propan-2-ylpyridin-2-one;ethane (PubChem CID 143160769) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-1-propan-2-ylpyridin-2-one;ethane.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-1-propan-2-ylpyridin-2-one;ethane
PubChem CID143160769
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name5-[(dimethylamino)methyl]-1-propan-2-ylpyridin-2-one;ethane
SMILESCC.CC(C)n1cc(CN(C)C)ccc1=O
InChIInChI=1S/C11H18N2O.C2H6/c1-9(2)13-8-10(7-12(3)4)5-6-11(13)14;1-2/h5-6,8-9H,7H2,1-4H3;1-2H3
InChIKeyJVMDEFDSHULUIM-UHFFFAOYSA-N
XLogP2.52
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.52
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)-5,9-dimethyl-N,N-di(propan-2-yl)deca-2,4,8-trienamide
CID 44561471
(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(2-methylallyl)amino]methyl}-1-(2-methoxyethyl)-2(1H)-pyridinone
CID 53191683
"N,N-diethyl-2-[[(1-ethyl-6-oxo-1,6-dihydro-3-pyridinyl)methyl](methyl)amino]acetamide"
CID 53191752
1,5,6-Trimethyl-2-pyridone
CID 12735847
lithium N,N-diethylbenzamide
CID 12872035
5-Ethyl-1-propylpyridin-2-one
CID 13169254

Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylamino)methyl]-1-propan-2-ylpyridin-2-one;ethane?
The IUPAC name of 5-[(dimethylamino)methyl]-1-propan-2-ylpyridin-2-one;ethane (CID 143160769) is 5-[(dimethylamino)methyl]-1-propan-2-ylpyridin-2-one;ethane.
What is the SMILES notation for 5-[(dimethylamino)methyl]-1-propan-2-ylpyridin-2-one;ethane?
The canonical SMILES for 5-[(dimethylamino)methyl]-1-propan-2-ylpyridin-2-one;ethane is CC.CC(C)n1cc(CN(C)C)ccc1=O.
What is the InChIKey of 5-[(dimethylamino)methyl]-1-propan-2-ylpyridin-2-one;ethane?
The InChIKey is JVMDEFDSHULUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O.C2H6/c1-9(2)13-8-10(7-12(3)4)5-6-11(13)14;1-2/h5-6,8-9H,7H2,1-4H3;1-2H3.
What are the key properties of 5-[(dimethylamino)methyl]-1-propan-2-ylpyridin-2-one;ethane?
5-[(dimethylamino)methyl]-1-propan-2-ylpyridin-2-one;ethane has a molecular weight of 224.35 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylamino)methyl]-1-propan-2-ylpyridin-2-one;ethane is sourced from PubChem (CID 143160769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).