5-tert-butyl-2-(1-ethoxyethyl)pyridine

C13H21NO — CID 90308346

IUPAC5-tert-butyl-2-(1-ethoxyethyl)pyridine
SMILESCCOC(C)c1ccc(C(C)(C)C)cn1
InChIInChI=1S/C13H21NO/c1-6-15-10(2)12-8-7-11(9-14-12)13(3,4)5/h7-10H,6H2,1-5H3
InChIKeyCGOJZMLPVIWRRV-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.48
Rot. Bonds3

About 5-tert-butyl-2-(1-ethoxyethyl)pyridine

5-tert-butyl-2-(1-ethoxyethyl)pyridine (PubChem CID 90308346) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 5-tert-butyl-2-(1-ethoxyethyl)pyridine.

Molecular Properties

Compound Name5-tert-butyl-2-(1-ethoxyethyl)pyridine
PubChem CID90308346
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name5-tert-butyl-2-(1-ethoxyethyl)pyridine
SMILESCCOC(C)c1ccc(C(C)(C)C)cn1
InChIInChI=1S/C13H21NO/c1-6-15-10(2)12-8-7-11(9-14-12)13(3,4)5/h7-10H,6H2,1-5H3
InChIKeyCGOJZMLPVIWRRV-UHFFFAOYSA-N
XLogP3.48
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-tert-butyl-2-(1-ethoxyethyl)pyridine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-(1-ethoxyethyl)pyridine?
The IUPAC name of 5-tert-butyl-2-(1-ethoxyethyl)pyridine (CID 90308346) is 5-tert-butyl-2-(1-ethoxyethyl)pyridine.
What is the SMILES notation for 5-tert-butyl-2-(1-ethoxyethyl)pyridine?
The canonical SMILES for 5-tert-butyl-2-(1-ethoxyethyl)pyridine is CCOC(C)c1ccc(C(C)(C)C)cn1.
What is the InChIKey of 5-tert-butyl-2-(1-ethoxyethyl)pyridine?
The InChIKey is CGOJZMLPVIWRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-6-15-10(2)12-8-7-11(9-14-12)13(3,4)5/h7-10H,6H2,1-5H3.
What are the key properties of 5-tert-butyl-2-(1-ethoxyethyl)pyridine?
5-tert-butyl-2-(1-ethoxyethyl)pyridine has a molecular weight of 207.32 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-(1-ethoxyethyl)pyridine is sourced from PubChem (CID 90308346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).