3-(dimethylamino)-1-(2,6-dimethyl-4-pyridinyl)propan-1-one

C12H18N2O — CID 130407441

IUPAC3-(dimethylamino)-1-(2,6-dimethyl-4-pyridinyl)propan-1-one
SMILESCc1cc(C(=O)CCN(C)C)cc(C)n1
InChIInChI=1S/C12H18N2O/c1-9-7-11(8-10(2)13-9)12(15)5-6-14(3)4/h7-8H,5-6H2,1-4H3
InChIKeyCNFQELGQUUMZCY-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.83
Rot. Bonds4

About 3-(dimethylamino)-1-(2,6-dimethyl-4-pyridinyl)propan-1-one

3-(dimethylamino)-1-(2,6-dimethyl-4-pyridinyl)propan-1-one (PubChem CID 130407441) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-(dimethylamino)-1-(2,6-dimethyl-4-pyridinyl)propan-1-one.

Molecular Properties

Compound Name3-(dimethylamino)-1-(2,6-dimethyl-4-pyridinyl)propan-1-one
PubChem CID130407441
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name3-(dimethylamino)-1-(2,6-dimethyl-4-pyridinyl)propan-1-one
SMILESCc1cc(C(=O)CCN(C)C)cc(C)n1
InChIInChI=1S/C12H18N2O/c1-9-7-11(8-10(2)13-9)12(15)5-6-14(3)4/h7-8H,5-6H2,1-4H3
InChIKeyCNFQELGQUUMZCY-UHFFFAOYSA-N
XLogP1.83
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(dimethylamino)-1-[3-[3-(dimethylamino)propanoyl]phenyl]propan-1-one;dihydrochloride
CID 53349627
1-(2,6-dimethyl-4-pyridinyl)-4-ethylsulfonylbutan-1-one
CID 107502536
1-(2,6-dimethyl-4-pyridinyl)-5,5,5-trifluoropentan-1-one
CID 107502589
3-(dimethylamino)-1-(2,3,5,6-tetramethylphenyl)propan-1-one
CID 82116294
3-(dimethylamino)-1-(1-methylpyrazol-4-yl)propan-1-one
CID 115345842
3-(dimethylamino)-1-(6-methoxynaphthalen-2-yl)propan-1-one;hydrochloride
CID 2751547
1-(2,6-dimethyl-4-pyridinyl)-3-thiophen-3-ylpropan-1-one
CID 107502319
1-(2-cyclobutyloxy-6-methoxy-4-pyridinyl)-3-(dimethylamino)propan-1-one
CID 130427336
4-[3-(dimethylamino)propanoyl]-1H-pyrrole-2-carbaldehyde
CID 82401238
4-(dimethylamino)-1-[4-[4-(dimethylamino)butanoyl]phenyl]butan-1-one
CID 15284079
3-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]propan-1-one
CID 11000484
3-(dimethylamino)-1-[4-fluoro-3-(trifluoromethyl)phenyl]propan-1-one
CID 107288258

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-(2,6-dimethyl-4-pyridinyl)propan-1-one?
The IUPAC name of 3-(dimethylamino)-1-(2,6-dimethyl-4-pyridinyl)propan-1-one (CID 130407441) is 3-(dimethylamino)-1-(2,6-dimethyl-4-pyridinyl)propan-1-one.
What is the SMILES notation for 3-(dimethylamino)-1-(2,6-dimethyl-4-pyridinyl)propan-1-one?
The canonical SMILES for 3-(dimethylamino)-1-(2,6-dimethyl-4-pyridinyl)propan-1-one is Cc1cc(C(=O)CCN(C)C)cc(C)n1.
What is the InChIKey of 3-(dimethylamino)-1-(2,6-dimethyl-4-pyridinyl)propan-1-one?
The InChIKey is CNFQELGQUUMZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-9-7-11(8-10(2)13-9)12(15)5-6-14(3)4/h7-8H,5-6H2,1-4H3.
What are the key properties of 3-(dimethylamino)-1-(2,6-dimethyl-4-pyridinyl)propan-1-one?
3-(dimethylamino)-1-(2,6-dimethyl-4-pyridinyl)propan-1-one has a molecular weight of 206.29 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-(2,6-dimethyl-4-pyridinyl)propan-1-one is sourced from PubChem (CID 130407441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).