3-(2-cyclopentylethynyl)-4-methylpyridine;ethane

C15H21N — CID 178009109

IUPAC3-(2-cyclopentylethynyl)-4-methylpyridine;ethane
SMILESCC.Cc1ccncc1C#CC1CCCC1
InChIInChI=1S/C13H15N.C2H6/c1-11-8-9-14-10-13(11)7-6-12-4-2-3-5-12;1-2/h8-10,12H,2-5H2,1H3;1-2H3
InChIKeyOQMRWOIVHSRABO-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.96
Rot. Bonds

About 3-(2-cyclopentylethynyl)-4-methylpyridine;ethane

3-(2-cyclopentylethynyl)-4-methylpyridine;ethane (PubChem CID 178009109) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-(2-cyclopentylethynyl)-4-methylpyridine;ethane.

Molecular Properties

Compound Name3-(2-cyclopentylethynyl)-4-methylpyridine;ethane
PubChem CID178009109
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name3-(2-cyclopentylethynyl)-4-methylpyridine;ethane
SMILESCC.Cc1ccncc1C#CC1CCCC1
InChIInChI=1S/C13H15N.C2H6/c1-11-8-9-14-10-13(11)7-6-12-4-2-3-5-12;1-2/h8-10,12H,2-5H2,1H3;1-2H3
InChIKeyOQMRWOIVHSRABO-UHFFFAOYSA-N
XLogP3.96
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopentylethynyl)-4-methylpyridine;ethane?
The IUPAC name of 3-(2-cyclopentylethynyl)-4-methylpyridine;ethane (CID 178009109) is 3-(2-cyclopentylethynyl)-4-methylpyridine;ethane.
What is the SMILES notation for 3-(2-cyclopentylethynyl)-4-methylpyridine;ethane?
The canonical SMILES for 3-(2-cyclopentylethynyl)-4-methylpyridine;ethane is CC.Cc1ccncc1C#CC1CCCC1.
What is the InChIKey of 3-(2-cyclopentylethynyl)-4-methylpyridine;ethane?
The InChIKey is OQMRWOIVHSRABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N.C2H6/c1-11-8-9-14-10-13(11)7-6-12-4-2-3-5-12;1-2/h8-10,12H,2-5H2,1H3;1-2H3.
What are the key properties of 3-(2-cyclopentylethynyl)-4-methylpyridine;ethane?
3-(2-cyclopentylethynyl)-4-methylpyridine;ethane has a molecular weight of 215.34 g/mol, XLogP of 3.96, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopentylethynyl)-4-methylpyridine;ethane is sourced from PubChem (CID 178009109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).