2-(2-ethyl-2-propyloxan-4-yl)pyridine

C15H23NO — CID 145294042

IUPAC2-(2-ethyl-2-propyloxan-4-yl)pyridine
SMILESCCCC1(CC)CC(c2ccccn2)CCO1
InChIInChI=1S/C15H23NO/c1-3-9-15(4-2)12-13(8-11-17-15)14-7-5-6-10-16-14/h5-7,10,13H,3-4,8-9,11-12H2,1-2H3
InChIKeyNPSMVXOUPCAZNZ-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.92
Rot. Bonds4

About 2-(2-ethyl-2-propyloxan-4-yl)pyridine

2-(2-ethyl-2-propyloxan-4-yl)pyridine (PubChem CID 145294042) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 2-(2-ethyl-2-propyloxan-4-yl)pyridine.

Molecular Properties

Compound Name2-(2-ethyl-2-propyloxan-4-yl)pyridine
PubChem CID145294042
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name2-(2-ethyl-2-propyloxan-4-yl)pyridine
SMILESCCCC1(CC)CC(c2ccccn2)CCO1
InChIInChI=1S/C15H23NO/c1-3-9-15(4-2)12-13(8-11-17-15)14-7-5-6-10-16-14/h5-7,10,13H,3-4,8-9,11-12H2,1-2H3
InChIKeyNPSMVXOUPCAZNZ-UHFFFAOYSA-N
XLogP3.92
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-2-propyloxan-4-yl)pyridine?
The IUPAC name of 2-(2-ethyl-2-propyloxan-4-yl)pyridine (CID 145294042) is 2-(2-ethyl-2-propyloxan-4-yl)pyridine.
What is the SMILES notation for 2-(2-ethyl-2-propyloxan-4-yl)pyridine?
The canonical SMILES for 2-(2-ethyl-2-propyloxan-4-yl)pyridine is CCCC1(CC)CC(c2ccccn2)CCO1.
What is the InChIKey of 2-(2-ethyl-2-propyloxan-4-yl)pyridine?
The InChIKey is NPSMVXOUPCAZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-9-15(4-2)12-13(8-11-17-15)14-7-5-6-10-16-14/h5-7,10,13H,3-4,8-9,11-12H2,1-2H3.
What are the key properties of 2-(2-ethyl-2-propyloxan-4-yl)pyridine?
2-(2-ethyl-2-propyloxan-4-yl)pyridine has a molecular weight of 233.35 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-2-propyloxan-4-yl)pyridine is sourced from PubChem (CID 145294042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).