2-cycloheptyl-4-ethyl-6-(4-ethylhept-1-en-4-yl)pyridine

C23H37N — CID 167080711

IUPAC2-cycloheptyl-4-ethyl-6-(4-ethylhept-1-en-4-yl)pyridine
SMILESC=CCC(CC)(CCC)c1cc(CC)cc(C2CCCCCC2)n1
InChIInChI=1S/C23H37N/c1-5-15-23(8-4,16-6-2)22-18-19(7-3)17-21(24-22)20-13-11-9-10-12-14-20/h5,17-18,20H,1,6-16H2,2-4H3
InChIKeyPQQRNBGHZJUYNU-UHFFFAOYSA-N
MW327.56 g/mol
LogP7.11
Rot. Bonds8

About 2-cycloheptyl-4-ethyl-6-(4-ethylhept-1-en-4-yl)pyridine

2-cycloheptyl-4-ethyl-6-(4-ethylhept-1-en-4-yl)pyridine (PubChem CID 167080711) has the molecular formula C23H37N and a molecular weight of 327.56 g/mol. Its IUPAC name is 2-cycloheptyl-4-ethyl-6-(4-ethylhept-1-en-4-yl)pyridine.

Molecular Properties

Compound Name2-cycloheptyl-4-ethyl-6-(4-ethylhept-1-en-4-yl)pyridine
PubChem CID167080711
Molecular FormulaC23H37N
Molecular Weight327.56 g/mol
Exact Mass327.29
IUPAC Name2-cycloheptyl-4-ethyl-6-(4-ethylhept-1-en-4-yl)pyridine
SMILESC=CCC(CC)(CCC)c1cc(CC)cc(C2CCCCCC2)n1
InChIInChI=1S/C23H37N/c1-5-15-23(8-4,16-6-2)22-18-19(7-3)17-21(24-22)20-13-11-9-10-12-14-20/h5,17-18,20H,1,6-16H2,2-4H3
InChIKeyPQQRNBGHZJUYNU-UHFFFAOYSA-N
XLogP7.11
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.56
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-4-ethyl-6-(4-ethylhept-1-en-4-yl)pyridine?
The IUPAC name of 2-cycloheptyl-4-ethyl-6-(4-ethylhept-1-en-4-yl)pyridine (CID 167080711) is 2-cycloheptyl-4-ethyl-6-(4-ethylhept-1-en-4-yl)pyridine.
What is the SMILES notation for 2-cycloheptyl-4-ethyl-6-(4-ethylhept-1-en-4-yl)pyridine?
The canonical SMILES for 2-cycloheptyl-4-ethyl-6-(4-ethylhept-1-en-4-yl)pyridine is C=CCC(CC)(CCC)c1cc(CC)cc(C2CCCCCC2)n1.
What is the InChIKey of 2-cycloheptyl-4-ethyl-6-(4-ethylhept-1-en-4-yl)pyridine?
The InChIKey is PQQRNBGHZJUYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N/c1-5-15-23(8-4,16-6-2)22-18-19(7-3)17-21(24-22)20-13-11-9-10-12-14-20/h5,17-18,20H,1,6-16H2,2-4H3.
What are the key properties of 2-cycloheptyl-4-ethyl-6-(4-ethylhept-1-en-4-yl)pyridine?
2-cycloheptyl-4-ethyl-6-(4-ethylhept-1-en-4-yl)pyridine has a molecular weight of 327.56 g/mol, XLogP of 7.11, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-4-ethyl-6-(4-ethylhept-1-en-4-yl)pyridine is sourced from PubChem (CID 167080711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).