5-tert-butyl-2-cyclohexylpyridine

C15H23N — CID 58094026

IUPAC5-tert-butyl-2-cyclohexylpyridine
SMILESCC(C)(C)c1ccc(C2CCCCC2)nc1
InChIInChI=1S/C15H23N/c1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12/h9-12H,4-8H2,1-3H3
InChIKeyZVPJIRVNPGXKBZ-UHFFFAOYSA-N
MW217.36 g/mol
LogP4.43
Rot. Bonds1

About 5-tert-butyl-2-cyclohexylpyridine

5-tert-butyl-2-cyclohexylpyridine (PubChem CID 58094026) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 5-tert-butyl-2-cyclohexylpyridine.

Molecular Properties

Compound Name5-tert-butyl-2-cyclohexylpyridine
PubChem CID58094026
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name5-tert-butyl-2-cyclohexylpyridine
SMILESCC(C)(C)c1ccc(C2CCCCC2)nc1
InChIInChI=1S/C15H23N/c1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12/h9-12H,4-8H2,1-3H3
InChIKeyZVPJIRVNPGXKBZ-UHFFFAOYSA-N
XLogP4.43
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-cyclohexylpyridine?
The IUPAC name of 5-tert-butyl-2-cyclohexylpyridine (CID 58094026) is 5-tert-butyl-2-cyclohexylpyridine.
What is the SMILES notation for 5-tert-butyl-2-cyclohexylpyridine?
The canonical SMILES for 5-tert-butyl-2-cyclohexylpyridine is CC(C)(C)c1ccc(C2CCCCC2)nc1.
What is the InChIKey of 5-tert-butyl-2-cyclohexylpyridine?
The InChIKey is ZVPJIRVNPGXKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12/h9-12H,4-8H2,1-3H3.
What are the key properties of 5-tert-butyl-2-cyclohexylpyridine?
5-tert-butyl-2-cyclohexylpyridine has a molecular weight of 217.36 g/mol, XLogP of 4.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-cyclohexylpyridine is sourced from PubChem (CID 58094026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).