3-tert-butyl-2,6-dimethylpyridine

C11H17N — CID 58870278

IUPAC3-tert-butyl-2,6-dimethylpyridine
SMILESCc1ccc(C(C)(C)C)c(C)n1
InChIInChI=1S/C11H17N/c1-8-6-7-10(9(2)12-8)11(3,4)5/h6-7H,1-5H3
InChIKeyKJBDFFKBLCODMT-UHFFFAOYSA-N
MW163.26 g/mol
LogP3.00
Rot. Bonds

About 3-tert-butyl-2,6-dimethylpyridine

3-tert-butyl-2,6-dimethylpyridine (PubChem CID 58870278) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 3-tert-butyl-2,6-dimethylpyridine.

Molecular Properties

Compound Name3-tert-butyl-2,6-dimethylpyridine
PubChem CID58870278
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name3-tert-butyl-2,6-dimethylpyridine
SMILESCc1ccc(C(C)(C)C)c(C)n1
InChIInChI=1S/C11H17N/c1-8-6-7-10(9(2)12-8)11(3,4)5/h6-7H,1-5H3
InChIKeyKJBDFFKBLCODMT-UHFFFAOYSA-N
XLogP3.00
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2,6-dimethylpyridine?
The IUPAC name of 3-tert-butyl-2,6-dimethylpyridine (CID 58870278) is 3-tert-butyl-2,6-dimethylpyridine.
What is the SMILES notation for 3-tert-butyl-2,6-dimethylpyridine?
The canonical SMILES for 3-tert-butyl-2,6-dimethylpyridine is Cc1ccc(C(C)(C)C)c(C)n1.
What is the InChIKey of 3-tert-butyl-2,6-dimethylpyridine?
The InChIKey is KJBDFFKBLCODMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-8-6-7-10(9(2)12-8)11(3,4)5/h6-7H,1-5H3.
What are the key properties of 3-tert-butyl-2,6-dimethylpyridine?
3-tert-butyl-2,6-dimethylpyridine has a molecular weight of 163.26 g/mol, XLogP of 3.00, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2,6-dimethylpyridine is sourced from PubChem (CID 58870278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).