2,3,6-trimethyl-5-(3-methylbutan-2-yl)pyridine

C13H21N — CID 59590438

IUPAC2,3,6-trimethyl-5-(3-methylbutan-2-yl)pyridine
SMILESCc1cc(C(C)C(C)C)c(C)nc1C
InChIInChI=1S/C13H21N/c1-8(2)10(4)13-7-9(3)11(5)14-12(13)6/h7-8,10H,1-6H3
InChIKeyKKNDLKDEYOJAID-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.77
Rot. Bonds2

About 2,3,6-trimethyl-5-(3-methylbutan-2-yl)pyridine

2,3,6-trimethyl-5-(3-methylbutan-2-yl)pyridine (PubChem CID 59590438) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 2,3,6-trimethyl-5-(3-methylbutan-2-yl)pyridine.

Molecular Properties

Compound Name2,3,6-trimethyl-5-(3-methylbutan-2-yl)pyridine
PubChem CID59590438
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name2,3,6-trimethyl-5-(3-methylbutan-2-yl)pyridine
SMILESCc1cc(C(C)C(C)C)c(C)nc1C
InChIInChI=1S/C13H21N/c1-8(2)10(4)13-7-9(3)11(5)14-12(13)6/h7-8,10H,1-6H3
InChIKeyKKNDLKDEYOJAID-UHFFFAOYSA-N
XLogP3.77
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-dimethyl-5-(3-methylbutan-2-yl)pyrimidine
CID 153329650
2,3,5-trimethyl-6-propan-2-ylpyridine
CID 89070171
3-fluoro-2,5,6-trimethylpyridine
CID 69005748
4-chloro-2-methyl-1-(3-methylbutan-2-yl)benzene
CID 123297627
2,3-dimethyl-6-propan-2-yl-5-(trifluoromethyl)pyridine
CID 146614926
N,3,5,6-tetramethylpyridin-2-amine
CID 18731726
2,3,6-trimethyl-5-phenylpyridine
CID 102473268
5,6-dimethyl-1-propan-2-ylpyrazolo[5,4-b]pyridine
CID 118215423
1-(2,6-dimethyl-3-pyridinyl)-2-methylpropan-1-ol
CID 105133610
1-(2,3-dimethylquinolin-8-yl)-N,N-diethylethanamine
CID 70253087
3-(2,6-dimethyl-5-propan-2-yl-3-pyridinyl)-N,2,2-trimethylpropan-1-amine
CID 134505020
1-(1-iodoethyl)-2,4,5-trimethylbenzene
CID 142348913

Frequently Asked Questions

What is the IUPAC name of 2,3,6-trimethyl-5-(3-methylbutan-2-yl)pyridine?
The IUPAC name of 2,3,6-trimethyl-5-(3-methylbutan-2-yl)pyridine (CID 59590438) is 2,3,6-trimethyl-5-(3-methylbutan-2-yl)pyridine.
What is the SMILES notation for 2,3,6-trimethyl-5-(3-methylbutan-2-yl)pyridine?
The canonical SMILES for 2,3,6-trimethyl-5-(3-methylbutan-2-yl)pyridine is Cc1cc(C(C)C(C)C)c(C)nc1C.
What is the InChIKey of 2,3,6-trimethyl-5-(3-methylbutan-2-yl)pyridine?
The InChIKey is KKNDLKDEYOJAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-8(2)10(4)13-7-9(3)11(5)14-12(13)6/h7-8,10H,1-6H3.
What are the key properties of 2,3,6-trimethyl-5-(3-methylbutan-2-yl)pyridine?
2,3,6-trimethyl-5-(3-methylbutan-2-yl)pyridine has a molecular weight of 191.32 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-trimethyl-5-(3-methylbutan-2-yl)pyridine is sourced from PubChem (CID 59590438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).