ethane;2-(4-propylphenyl)pyridine

C16H21N — CID 158701503

IUPACethane;2-(4-propylphenyl)pyridine
SMILESCC.CCCc1ccc(-c2ccccn2)cc1
InChIInChI=1S/C14H15N.C2H6/c1-2-5-12-7-9-13(10-8-12)14-6-3-4-11-15-14;1-2/h3-4,6-11H,2,5H2,1H3;1-2H3
InChIKeyIHPGKBDMIVDOCS-UHFFFAOYSA-N
MW227.35 g/mol
LogP4.73
Rot. Bonds3

About ethane;2-(4-propylphenyl)pyridine

ethane;2-(4-propylphenyl)pyridine (PubChem CID 158701503) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is ethane;2-(4-propylphenyl)pyridine.

Molecular Properties

Compound Nameethane;2-(4-propylphenyl)pyridine
PubChem CID158701503
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC Nameethane;2-(4-propylphenyl)pyridine
SMILESCC.CCCc1ccc(-c2ccccn2)cc1
InChIInChI=1S/C14H15N.C2H6/c1-2-5-12-7-9-13(10-8-12)14-6-3-4-11-15-14;1-2/h3-4,6-11H,2,5H2,1H3;1-2H3
InChIKeyIHPGKBDMIVDOCS-UHFFFAOYSA-N
XLogP4.73
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;2-(4-propylphenyl)pyridine?
The IUPAC name of ethane;2-(4-propylphenyl)pyridine (CID 158701503) is ethane;2-(4-propylphenyl)pyridine.
What is the SMILES notation for ethane;2-(4-propylphenyl)pyridine?
The canonical SMILES for ethane;2-(4-propylphenyl)pyridine is CC.CCCc1ccc(-c2ccccn2)cc1.
What is the InChIKey of ethane;2-(4-propylphenyl)pyridine?
The InChIKey is IHPGKBDMIVDOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N.C2H6/c1-2-5-12-7-9-13(10-8-12)14-6-3-4-11-15-14;1-2/h3-4,6-11H,2,5H2,1H3;1-2H3.
What are the key properties of ethane;2-(4-propylphenyl)pyridine?
ethane;2-(4-propylphenyl)pyridine has a molecular weight of 227.35 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(4-propylphenyl)pyridine is sourced from PubChem (CID 158701503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).