5-tert-butyl-2-methyl-3-propan-2-ylpyridine

C13H21N — CID 58861335

IUPAC5-tert-butyl-2-methyl-3-propan-2-ylpyridine
SMILESCc1ncc(C(C)(C)C)cc1C(C)C
InChIInChI=1S/C13H21N/c1-9(2)12-7-11(13(4,5)6)8-14-10(12)3/h7-9H,1-6H3
InChIKeyYCWYRUQPUSDMLU-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.81
Rot. Bonds1

About 5-tert-butyl-2-methyl-3-propan-2-ylpyridine

5-tert-butyl-2-methyl-3-propan-2-ylpyridine (PubChem CID 58861335) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 5-tert-butyl-2-methyl-3-propan-2-ylpyridine.

Molecular Properties

Compound Name5-tert-butyl-2-methyl-3-propan-2-ylpyridine
PubChem CID58861335
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name5-tert-butyl-2-methyl-3-propan-2-ylpyridine
SMILESCc1ncc(C(C)(C)C)cc1C(C)C
InChIInChI=1S/C13H21N/c1-9(2)12-7-11(13(4,5)6)8-14-10(12)3/h7-9H,1-6H3
InChIKeyYCWYRUQPUSDMLU-UHFFFAOYSA-N
XLogP3.81
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-methyl-3-propan-2-ylpyridine?
The IUPAC name of 5-tert-butyl-2-methyl-3-propan-2-ylpyridine (CID 58861335) is 5-tert-butyl-2-methyl-3-propan-2-ylpyridine.
What is the SMILES notation for 5-tert-butyl-2-methyl-3-propan-2-ylpyridine?
The canonical SMILES for 5-tert-butyl-2-methyl-3-propan-2-ylpyridine is Cc1ncc(C(C)(C)C)cc1C(C)C.
What is the InChIKey of 5-tert-butyl-2-methyl-3-propan-2-ylpyridine?
The InChIKey is YCWYRUQPUSDMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-9(2)12-7-11(13(4,5)6)8-14-10(12)3/h7-9H,1-6H3.
What are the key properties of 5-tert-butyl-2-methyl-3-propan-2-ylpyridine?
5-tert-butyl-2-methyl-3-propan-2-ylpyridine has a molecular weight of 191.32 g/mol, XLogP of 3.81, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-methyl-3-propan-2-ylpyridine is sourced from PubChem (CID 58861335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).