5-tert-butyl-2-ethyl-4-methylpyridine

C12H19N — CID 154974877

IUPAC5-tert-butyl-2-ethyl-4-methylpyridine
SMILESCCc1cc(C)c(C(C)(C)C)cn1
InChIInChI=1S/C12H19N/c1-6-10-7-9(2)11(8-13-10)12(3,4)5/h7-8H,6H2,1-5H3
InChIKeyVJAUKCBZRMXBTQ-UHFFFAOYSA-N
MW177.29 g/mol
LogP3.25
Rot. Bonds1

About 5-tert-butyl-2-ethyl-4-methylpyridine

5-tert-butyl-2-ethyl-4-methylpyridine (PubChem CID 154974877) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 5-tert-butyl-2-ethyl-4-methylpyridine.

Molecular Properties

Compound Name5-tert-butyl-2-ethyl-4-methylpyridine
PubChem CID154974877
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name5-tert-butyl-2-ethyl-4-methylpyridine
SMILESCCc1cc(C)c(C(C)(C)C)cn1
InChIInChI=1S/C12H19N/c1-6-10-7-9(2)11(8-13-10)12(3,4)5/h7-8H,6H2,1-5H3
InChIKeyVJAUKCBZRMXBTQ-UHFFFAOYSA-N
XLogP3.25
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.25
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-ethyl-4-methylpyridine?
The IUPAC name of 5-tert-butyl-2-ethyl-4-methylpyridine (CID 154974877) is 5-tert-butyl-2-ethyl-4-methylpyridine.
What is the SMILES notation for 5-tert-butyl-2-ethyl-4-methylpyridine?
The canonical SMILES for 5-tert-butyl-2-ethyl-4-methylpyridine is CCc1cc(C)c(C(C)(C)C)cn1.
What is the InChIKey of 5-tert-butyl-2-ethyl-4-methylpyridine?
The InChIKey is VJAUKCBZRMXBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-6-10-7-9(2)11(8-13-10)12(3,4)5/h7-8H,6H2,1-5H3.
What are the key properties of 5-tert-butyl-2-ethyl-4-methylpyridine?
5-tert-butyl-2-ethyl-4-methylpyridine has a molecular weight of 177.29 g/mol, XLogP of 3.25, 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-ethyl-4-methylpyridine is sourced from PubChem (CID 154974877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).