1-(2,6-dimethyl-3-pyridinyl)-3-methylbutan-1-one

C12H17NO — CID 105077565

IUPAC1-(2,6-dimethyl-3-pyridinyl)-3-methylbutan-1-one
SMILESCc1ccc(C(=O)CC(C)C)c(C)n1
InChIInChI=1S/C12H17NO/c1-8(2)7-12(14)11-6-5-9(3)13-10(11)4/h5-6,8H,7H2,1-4H3
InChIKeyIGMPLJNECPKTBK-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.93
Rot. Bonds3

About 1-(2,6-dimethyl-3-pyridinyl)-3-methylbutan-1-one

1-(2,6-dimethyl-3-pyridinyl)-3-methylbutan-1-one (PubChem CID 105077565) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 1-(2,6-dimethyl-3-pyridinyl)-3-methylbutan-1-one.

Molecular Properties

Compound Name1-(2,6-dimethyl-3-pyridinyl)-3-methylbutan-1-one
PubChem CID105077565
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name1-(2,6-dimethyl-3-pyridinyl)-3-methylbutan-1-one
SMILESCc1ccc(C(=O)CC(C)C)c(C)n1
InChIInChI=1S/C12H17NO/c1-8(2)7-12(14)11-6-5-9(3)13-10(11)4/h5-6,8H,7H2,1-4H3
InChIKeyIGMPLJNECPKTBK-UHFFFAOYSA-N
XLogP2.93
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2,6-dimethyl-3-pyridinyl)-3-methylbutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-1-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]butan-1-one
CID 167670286
1-(2,6-dimethyl-3-pyridinyl)-2-methylpropan-1-one
CID 11030369
1-(2,6-dimethyl-3-pyridinyl)-2-ethylbutan-1-one
CID 105117428
3-methyl-1-(2-methylquinolin-4-yl)butan-1-one
CID 105077594
2,6-dimethylpyridine-3-carboxamide
CID 2824850
2,6-dimethylpyridine-3-carboxamide;hydrochloride
CID 67300853
N-(2-bromopropyl)-2,6-dimethylpyridine-3-carboxamide
CID 114308850
2,6-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide
CID 102914586
N-(2-aminopropyl)-2,6-dimethylpyridine-3-carboxamide
CID 63731041
N-[(2R)-1-aminopropan-2-yl]-2,6-dimethylpyridine-3-carboxamide
CID 104873122
1-(4-methoxy-2,3-dimethylphenyl)-3-methylbutan-1-one
CID 82494135
N-(3-hydroxy-2-methylpropyl)-2,6-dimethylpyridine-3-carboxamide
CID 65034246

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethyl-3-pyridinyl)-3-methylbutan-1-one?
The IUPAC name of 1-(2,6-dimethyl-3-pyridinyl)-3-methylbutan-1-one (CID 105077565) is 1-(2,6-dimethyl-3-pyridinyl)-3-methylbutan-1-one.
What is the SMILES notation for 1-(2,6-dimethyl-3-pyridinyl)-3-methylbutan-1-one?
The canonical SMILES for 1-(2,6-dimethyl-3-pyridinyl)-3-methylbutan-1-one is Cc1ccc(C(=O)CC(C)C)c(C)n1.
What is the InChIKey of 1-(2,6-dimethyl-3-pyridinyl)-3-methylbutan-1-one?
The InChIKey is IGMPLJNECPKTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-8(2)7-12(14)11-6-5-9(3)13-10(11)4/h5-6,8H,7H2,1-4H3.
What are the key properties of 1-(2,6-dimethyl-3-pyridinyl)-3-methylbutan-1-one?
1-(2,6-dimethyl-3-pyridinyl)-3-methylbutan-1-one has a molecular weight of 191.27 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethyl-3-pyridinyl)-3-methylbutan-1-one is sourced from PubChem (CID 105077565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).