2-(1-cyclobutylethyl)-5-methylpyridine

C12H17N — CID 121401029

IUPAC2-(1-cyclobutylethyl)-5-methylpyridine
SMILESCc1ccc(C(C)C2CCC2)nc1
InChIInChI=1S/C12H17N/c1-9-6-7-12(13-8-9)10(2)11-4-3-5-11/h6-8,10-11H,3-5H2,1-2H3
InChIKeyDQPWIJHYNGWYAH-UHFFFAOYSA-N
MW175.27 g/mol
LogP3.29
Rot. Bonds2

About 2-(1-cyclobutylethyl)-5-methylpyridine

2-(1-cyclobutylethyl)-5-methylpyridine (PubChem CID 121401029) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is 2-(1-cyclobutylethyl)-5-methylpyridine.

Molecular Properties

Compound Name2-(1-cyclobutylethyl)-5-methylpyridine
PubChem CID121401029
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name2-(1-cyclobutylethyl)-5-methylpyridine
SMILESCc1ccc(C(C)C2CCC2)nc1
InChIInChI=1S/C12H17N/c1-9-6-7-12(13-8-9)10(2)11-4-3-5-11/h6-8,10-11H,3-5H2,1-2H3
InChIKeyDQPWIJHYNGWYAH-UHFFFAOYSA-N
XLogP3.29
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclobutylethyl)-5-methylpyridine?
The IUPAC name of 2-(1-cyclobutylethyl)-5-methylpyridine (CID 121401029) is 2-(1-cyclobutylethyl)-5-methylpyridine.
What is the SMILES notation for 2-(1-cyclobutylethyl)-5-methylpyridine?
The canonical SMILES for 2-(1-cyclobutylethyl)-5-methylpyridine is Cc1ccc(C(C)C2CCC2)nc1.
What is the InChIKey of 2-(1-cyclobutylethyl)-5-methylpyridine?
The InChIKey is DQPWIJHYNGWYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-9-6-7-12(13-8-9)10(2)11-4-3-5-11/h6-8,10-11H,3-5H2,1-2H3.
What are the key properties of 2-(1-cyclobutylethyl)-5-methylpyridine?
2-(1-cyclobutylethyl)-5-methylpyridine has a molecular weight of 175.27 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclobutylethyl)-5-methylpyridine is sourced from PubChem (CID 121401029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).