2-(dimethylamino)-2-methyl-1-(6-methyl-3-pyridinyl)butan-1-one

C13H20N2O — CID 79050965

IUPAC2-(dimethylamino)-2-methyl-1-(6-methyl-3-pyridinyl)butan-1-one
SMILESCCC(C)(C(=O)c1ccc(C)nc1)N(C)C
InChIInChI=1S/C13H20N2O/c1-6-13(3,15(4)5)12(16)11-8-7-10(2)14-9-11/h7-9H,6H2,1-5H3
InChIKeyUDUBDMRRKPXTGG-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.30
Rot. Bonds4

About 2-(dimethylamino)-2-methyl-1-(6-methyl-3-pyridinyl)butan-1-one

2-(dimethylamino)-2-methyl-1-(6-methyl-3-pyridinyl)butan-1-one (PubChem CID 79050965) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-(dimethylamino)-2-methyl-1-(6-methyl-3-pyridinyl)butan-1-one.

Molecular Properties

Compound Name2-(dimethylamino)-2-methyl-1-(6-methyl-3-pyridinyl)butan-1-one
PubChem CID79050965
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-(dimethylamino)-2-methyl-1-(6-methyl-3-pyridinyl)butan-1-one
SMILESCCC(C)(C(=O)c1ccc(C)nc1)N(C)C
InChIInChI=1S/C13H20N2O/c1-6-13(3,15(4)5)12(16)11-8-7-10(2)14-9-11/h7-9H,6H2,1-5H3
InChIKeyUDUBDMRRKPXTGG-UHFFFAOYSA-N
XLogP2.30
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2-methoxy-1-(6-methyl-3-pyridinyl)butan-1-one
CID 116747615
N-(3-amino-2,2-dimethylpropyl)-N,6-dimethylpyridine-3-carboxamide
CID 79652120
2-amino-2-cyclopropyl-1-(6-methyl-3-pyridinyl)propan-1-one
CID 116558385
1-(6-methyl-3-pyridinyl)ethanone;hydrochloride
CID 67521674
N-[1-chloro-2-(chloromethyl)butan-2-yl]-6-methylpyridine-3-carboxamide
CID 107867635
N-(2-amino-2-ethylbutyl)-6-methylpyridine-3-carboxamide;dihydrochloride
CID 119641996
methyl 2-[methyl-(6-methylpyridine-3-carbonyl)amino]acetate
CID 43409840
2-methyl-2-(6-methyl-3-pyridinyl)butanoic acid
CID 83830381
N-[2-(aminomethyl)-2-ethylbutyl]-6-methylpyridine-3-carboxamide
CID 114164010
6-methyl-N-propan-2-yl-N-propylpyridine-3-carboxamide
CID 10421027
N-(2-chloroethyl)-N-ethyl-6-methylpyridine-3-carboxamide
CID 63395365
heptyl 6-methylpyridine-3-carboxylate
CID 122397827

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-methyl-1-(6-methyl-3-pyridinyl)butan-1-one?
The IUPAC name of 2-(dimethylamino)-2-methyl-1-(6-methyl-3-pyridinyl)butan-1-one (CID 79050965) is 2-(dimethylamino)-2-methyl-1-(6-methyl-3-pyridinyl)butan-1-one.
What is the SMILES notation for 2-(dimethylamino)-2-methyl-1-(6-methyl-3-pyridinyl)butan-1-one?
The canonical SMILES for 2-(dimethylamino)-2-methyl-1-(6-methyl-3-pyridinyl)butan-1-one is CCC(C)(C(=O)c1ccc(C)nc1)N(C)C.
What is the InChIKey of 2-(dimethylamino)-2-methyl-1-(6-methyl-3-pyridinyl)butan-1-one?
The InChIKey is UDUBDMRRKPXTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-6-13(3,15(4)5)12(16)11-8-7-10(2)14-9-11/h7-9H,6H2,1-5H3.
What are the key properties of 2-(dimethylamino)-2-methyl-1-(6-methyl-3-pyridinyl)butan-1-one?
2-(dimethylamino)-2-methyl-1-(6-methyl-3-pyridinyl)butan-1-one has a molecular weight of 220.32 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-methyl-1-(6-methyl-3-pyridinyl)butan-1-one is sourced from PubChem (CID 79050965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).