2-(oxan-2-yl)-4-propan-2-ylpyridine

C13H19NO — CID 166028714

IUPAC2-(oxan-2-yl)-4-propan-2-ylpyridine
SMILESCC(C)c1ccnc(C2CCCCO2)c1
InChIInChI=1S/C13H19NO/c1-10(2)11-6-7-14-12(9-11)13-5-3-4-8-15-13/h6-7,9-10,13H,3-5,8H2,1-2H3
InChIKeyWIDDBZFIZBFYTQ-UHFFFAOYSA-N
MW205.30 g/mol
LogP3.45
Rot. Bonds2

About 2-(oxan-2-yl)-4-propan-2-ylpyridine

2-(oxan-2-yl)-4-propan-2-ylpyridine (PubChem CID 166028714) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-(oxan-2-yl)-4-propan-2-ylpyridine.

Molecular Properties

Compound Name2-(oxan-2-yl)-4-propan-2-ylpyridine
PubChem CID166028714
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-(oxan-2-yl)-4-propan-2-ylpyridine
SMILESCC(C)c1ccnc(C2CCCCO2)c1
InChIInChI=1S/C13H19NO/c1-10(2)11-6-7-14-12(9-11)13-5-3-4-8-15-13/h6-7,9-10,13H,3-5,8H2,1-2H3
InChIKeyWIDDBZFIZBFYTQ-UHFFFAOYSA-N
XLogP3.45
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(oxan-2-yl)-4-propan-2-ylpyridine 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-(oxan-2-yl)-4-propan-2-ylpyridine?
The IUPAC name of 2-(oxan-2-yl)-4-propan-2-ylpyridine (CID 166028714) is 2-(oxan-2-yl)-4-propan-2-ylpyridine.
What is the SMILES notation for 2-(oxan-2-yl)-4-propan-2-ylpyridine?
The canonical SMILES for 2-(oxan-2-yl)-4-propan-2-ylpyridine is CC(C)c1ccnc(C2CCCCO2)c1.
What is the InChIKey of 2-(oxan-2-yl)-4-propan-2-ylpyridine?
The InChIKey is WIDDBZFIZBFYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-10(2)11-6-7-14-12(9-11)13-5-3-4-8-15-13/h6-7,9-10,13H,3-5,8H2,1-2H3.
What are the key properties of 2-(oxan-2-yl)-4-propan-2-ylpyridine?
2-(oxan-2-yl)-4-propan-2-ylpyridine has a molecular weight of 205.30 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-yl)-4-propan-2-ylpyridine is sourced from PubChem (CID 166028714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).