5-(4-tert-butylcyclohexyl)-2-ethylpyridine

C17H27N — CID 70849885

IUPAC5-(4-tert-butylcyclohexyl)-2-ethylpyridine
SMILESCCc1ccc(C2CCC(C(C)(C)C)CC2)cn1
InChIInChI=1S/C17H27N/c1-5-16-11-8-14(12-18-16)13-6-9-15(10-7-13)17(2,3)4/h8,11-13,15H,5-7,9-10H2,1-4H3
InChIKeyPBXCDOWIVAECQL-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.96
Rot. Bonds2

About 5-(4-tert-butylcyclohexyl)-2-ethylpyridine

5-(4-tert-butylcyclohexyl)-2-ethylpyridine (PubChem CID 70849885) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 5-(4-tert-butylcyclohexyl)-2-ethylpyridine.

Molecular Properties

Compound Name5-(4-tert-butylcyclohexyl)-2-ethylpyridine
PubChem CID70849885
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name5-(4-tert-butylcyclohexyl)-2-ethylpyridine
SMILESCCc1ccc(C2CCC(C(C)(C)C)CC2)cn1
InChIInChI=1S/C17H27N/c1-5-16-11-8-14(12-18-16)13-6-9-15(10-7-13)17(2,3)4/h8,11-13,15H,5-7,9-10H2,1-4H3
InChIKeyPBXCDOWIVAECQL-UHFFFAOYSA-N
XLogP4.96
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylcyclohexyl)-2-ethylpyridine?
The IUPAC name of 5-(4-tert-butylcyclohexyl)-2-ethylpyridine (CID 70849885) is 5-(4-tert-butylcyclohexyl)-2-ethylpyridine.
What is the SMILES notation for 5-(4-tert-butylcyclohexyl)-2-ethylpyridine?
The canonical SMILES for 5-(4-tert-butylcyclohexyl)-2-ethylpyridine is CCc1ccc(C2CCC(C(C)(C)C)CC2)cn1.
What is the InChIKey of 5-(4-tert-butylcyclohexyl)-2-ethylpyridine?
The InChIKey is PBXCDOWIVAECQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-5-16-11-8-14(12-18-16)13-6-9-15(10-7-13)17(2,3)4/h8,11-13,15H,5-7,9-10H2,1-4H3.
What are the key properties of 5-(4-tert-butylcyclohexyl)-2-ethylpyridine?
5-(4-tert-butylcyclohexyl)-2-ethylpyridine has a molecular weight of 245.41 g/mol, XLogP of 4.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylcyclohexyl)-2-ethylpyridine is sourced from PubChem (CID 70849885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).