3-(2-cyclohexylethyl)-2-[3-(2-cyclohexylethyl)-2-pyridinyl]pyridine

C26H36N2 — CID 102306108

IUPAC3-(2-cyclohexylethyl)-2-[3-(2-cyclohexylethyl)-2-pyridinyl]pyridine
SMILESc1cnc(-c2ncccc2CCC2CCCCC2)c(CCC2CCCCC2)c1
InChIInChI=1S/C26H36N2/c1-3-9-21(10-4-1)15-17-23-13-7-19-27-25(23)26-24(14-8-20-28-26)18-16-22-11-5-2-6-12-22/h7-8,13-14,19-22H,1-6,9-12,15-18H2
InChIKeyMZGSQKOZMWPPHX-UHFFFAOYSA-N
MW376.59 g/mol
LogP7.17
Rot. Bonds7

About 3-(2-cyclohexylethyl)-2-[3-(2-cyclohexylethyl)-2-pyridinyl]pyridine

3-(2-cyclohexylethyl)-2-[3-(2-cyclohexylethyl)-2-pyridinyl]pyridine (PubChem CID 102306108) has the molecular formula C26H36N2 and a molecular weight of 376.59 g/mol. Its IUPAC name is 3-(2-cyclohexylethyl)-2-[3-(2-cyclohexylethyl)-2-pyridinyl]pyridine.

Molecular Properties

Compound Name3-(2-cyclohexylethyl)-2-[3-(2-cyclohexylethyl)-2-pyridinyl]pyridine
PubChem CID102306108
Molecular FormulaC26H36N2
Molecular Weight376.59 g/mol
Exact Mass376.29
IUPAC Name3-(2-cyclohexylethyl)-2-[3-(2-cyclohexylethyl)-2-pyridinyl]pyridine
SMILESc1cnc(-c2ncccc2CCC2CCCCC2)c(CCC2CCCCC2)c1
InChIInChI=1S/C26H36N2/c1-3-9-21(10-4-1)15-17-23-13-7-19-27-25(23)26-24(14-8-20-28-26)18-16-22-11-5-2-6-12-22/h7-8,13-14,19-22H,1-6,9-12,15-18H2
InChIKeyMZGSQKOZMWPPHX-UHFFFAOYSA-N
XLogP7.17
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.59
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclohexylethyl)-2-[3-(2-cyclohexylethyl)-2-pyridinyl]pyridine?
The IUPAC name of 3-(2-cyclohexylethyl)-2-[3-(2-cyclohexylethyl)-2-pyridinyl]pyridine (CID 102306108) is 3-(2-cyclohexylethyl)-2-[3-(2-cyclohexylethyl)-2-pyridinyl]pyridine.
What is the SMILES notation for 3-(2-cyclohexylethyl)-2-[3-(2-cyclohexylethyl)-2-pyridinyl]pyridine?
The canonical SMILES for 3-(2-cyclohexylethyl)-2-[3-(2-cyclohexylethyl)-2-pyridinyl]pyridine is c1cnc(-c2ncccc2CCC2CCCCC2)c(CCC2CCCCC2)c1.
What is the InChIKey of 3-(2-cyclohexylethyl)-2-[3-(2-cyclohexylethyl)-2-pyridinyl]pyridine?
The InChIKey is MZGSQKOZMWPPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2/c1-3-9-21(10-4-1)15-17-23-13-7-19-27-25(23)26-24(14-8-20-28-26)18-16-22-11-5-2-6-12-22/h7-8,13-14,19-22H,1-6,9-12,15-18H2.
What are the key properties of 3-(2-cyclohexylethyl)-2-[3-(2-cyclohexylethyl)-2-pyridinyl]pyridine?
3-(2-cyclohexylethyl)-2-[3-(2-cyclohexylethyl)-2-pyridinyl]pyridine has a molecular weight of 376.59 g/mol, XLogP of 7.17, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclohexylethyl)-2-[3-(2-cyclohexylethyl)-2-pyridinyl]pyridine is sourced from PubChem (CID 102306108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).