2-[(2S,6R)-2,6-dimethyloxan-4-yl]oxy-5-ethyl-4-methylpyridine

C15H23NO2 — CID 176666936

IUPAC2-[(2S,6R)-2,6-dimethyloxan-4-yl]oxy-5-ethyl-4-methylpyridine
SMILESCCc1cnc(OC2C[C@@H](C)O[C@@H](C)C2)cc1C
InChIInChI=1S/C15H23NO2/c1-5-13-9-16-15(6-10(13)2)18-14-7-11(3)17-12(4)8-14/h6,9,11-12,14H,5,7-8H2,1-4H3/t11-,12+,14?
InChIKeyOANGWRXWNZYQQW-ONXXMXGDSA-N
MW249.35 g/mol
LogP3.29
Rot. Bonds3

About 2-[(2S,6R)-2,6-dimethyloxan-4-yl]oxy-5-ethyl-4-methylpyridine

2-[(2S,6R)-2,6-dimethyloxan-4-yl]oxy-5-ethyl-4-methylpyridine (PubChem CID 176666936) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-[(2S,6R)-2,6-dimethyloxan-4-yl]oxy-5-ethyl-4-methylpyridine.

Molecular Properties

Compound Name2-[(2S,6R)-2,6-dimethyloxan-4-yl]oxy-5-ethyl-4-methylpyridine
PubChem CID176666936
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-[(2S,6R)-2,6-dimethyloxan-4-yl]oxy-5-ethyl-4-methylpyridine
SMILESCCc1cnc(OC2C[C@@H](C)O[C@@H](C)C2)cc1C
InChIInChI=1S/C15H23NO2/c1-5-13-9-16-15(6-10(13)2)18-14-7-11(3)17-12(4)8-14/h6,9,11-12,14H,5,7-8H2,1-4H3/t11-,12+,14?
InChIKeyOANGWRXWNZYQQW-ONXXMXGDSA-N
XLogP3.29
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(2S,6R)-2,6-dimethyloxan-4-yl]oxy-5-ethyl-4-methylpyridine 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 2-[(2S,6R)-2,6-dimethyloxan-4-yl]oxy-5-ethyl-4-methylpyridine?
The IUPAC name of 2-[(2S,6R)-2,6-dimethyloxan-4-yl]oxy-5-ethyl-4-methylpyridine (CID 176666936) is 2-[(2S,6R)-2,6-dimethyloxan-4-yl]oxy-5-ethyl-4-methylpyridine.
What is the SMILES notation for 2-[(2S,6R)-2,6-dimethyloxan-4-yl]oxy-5-ethyl-4-methylpyridine?
The canonical SMILES for 2-[(2S,6R)-2,6-dimethyloxan-4-yl]oxy-5-ethyl-4-methylpyridine is CCc1cnc(OC2C[C@@H](C)O[C@@H](C)C2)cc1C.
What is the InChIKey of 2-[(2S,6R)-2,6-dimethyloxan-4-yl]oxy-5-ethyl-4-methylpyridine?
The InChIKey is OANGWRXWNZYQQW-ONXXMXGDSA-N. The full InChI is InChI=1S/C15H23NO2/c1-5-13-9-16-15(6-10(13)2)18-14-7-11(3)17-12(4)8-14/h6,9,11-12,14H,5,7-8H2,1-4H3/t11-,12+,14?.
What are the key properties of 2-[(2S,6R)-2,6-dimethyloxan-4-yl]oxy-5-ethyl-4-methylpyridine?
2-[(2S,6R)-2,6-dimethyloxan-4-yl]oxy-5-ethyl-4-methylpyridine has a molecular weight of 249.35 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,6R)-2,6-dimethyloxan-4-yl]oxy-5-ethyl-4-methylpyridine is sourced from PubChem (CID 176666936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).