3-[2-(4-hexylcyclohexyl)ethyl]-6-(4-hexylphenyl)pyridazine

C30H46N2 — CID 139778801

IUPAC3-[2-(4-hexylcyclohexyl)ethyl]-6-(4-hexylphenyl)pyridazine
SMILESCCCCCCc1ccc(-c2ccc(CCC3CCC(CCCCCC)CC3)nn2)cc1
InChIInChI=1S/C30H46N2/c1-3-5-7-9-11-25-13-15-27(16-14-25)19-22-29-23-24-30(32-31-29)28-20-17-26(18-21-28)12-10-8-6-4-2/h17-18,20-21,23-25,27H,3-16,19,22H2,1-2H3
InChIKeyHVIBMLFKDKUGOF-UHFFFAOYSA-N
MW434.71 g/mol
LogP8.98
Rot. Bonds14

About 3-[2-(4-hexylcyclohexyl)ethyl]-6-(4-hexylphenyl)pyridazine

3-[2-(4-hexylcyclohexyl)ethyl]-6-(4-hexylphenyl)pyridazine (PubChem CID 139778801) has the molecular formula C30H46N2 and a molecular weight of 434.71 g/mol. Its IUPAC name is 3-[2-(4-hexylcyclohexyl)ethyl]-6-(4-hexylphenyl)pyridazine.

Molecular Properties

Compound Name3-[2-(4-hexylcyclohexyl)ethyl]-6-(4-hexylphenyl)pyridazine
PubChem CID139778801
Molecular FormulaC30H46N2
Molecular Weight434.71 g/mol
Exact Mass434.37
IUPAC Name3-[2-(4-hexylcyclohexyl)ethyl]-6-(4-hexylphenyl)pyridazine
SMILESCCCCCCc1ccc(-c2ccc(CCC3CCC(CCCCCC)CC3)nn2)cc1
InChIInChI=1S/C30H46N2/c1-3-5-7-9-11-25-13-15-27(16-14-25)19-22-29-23-24-30(32-31-29)28-20-17-26(18-21-28)12-10-8-6-4-2/h17-18,20-21,23-25,27H,3-16,19,22H2,1-2H3
InChIKeyHVIBMLFKDKUGOF-UHFFFAOYSA-N
XLogP8.98
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.71
LogP ≤ 58.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(4-butylcyclohexyl)ethyl]-6-(4-hexylphenyl)pyridazine
CID 139778747
3-[2-(4-heptylcyclohexyl)ethyl]-6-(4-propylphenyl)pyridazine
CID 139778999
3-heptyl-6-[4-[2-(4-heptylcyclohexyl)ethyl]phenyl]pyridazine
CID 139778532
3-[2-(4-pentylcyclohexyl)ethyl]-6-(4-propylphenyl)pyridazine
CID 139778915
3-(4-hexylphenyl)-6-[2-(4-methylcyclohexyl)ethyl]pyridazine
CID 139778718
5-octyl-2-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]pyridine
CID 18609154
3-(4-decylphenyl)-6-propylpyridazine
CID 13360938
5-hexyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine
CID 154424949
5-decyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine
CID 154424953
5-heptyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine
CID 154424950
3-(3-fluoro-4-propylphenyl)-6-[2-(4-heptylcyclohexyl)ethyl]pyridazine
CID 139779136
3-(9-cyclopropylnonyl)-6-(5-heptyl-2-pyridinyl)pyridazine
CID 22412964

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-hexylcyclohexyl)ethyl]-6-(4-hexylphenyl)pyridazine?
The IUPAC name of 3-[2-(4-hexylcyclohexyl)ethyl]-6-(4-hexylphenyl)pyridazine (CID 139778801) is 3-[2-(4-hexylcyclohexyl)ethyl]-6-(4-hexylphenyl)pyridazine.
What is the SMILES notation for 3-[2-(4-hexylcyclohexyl)ethyl]-6-(4-hexylphenyl)pyridazine?
The canonical SMILES for 3-[2-(4-hexylcyclohexyl)ethyl]-6-(4-hexylphenyl)pyridazine is CCCCCCc1ccc(-c2ccc(CCC3CCC(CCCCCC)CC3)nn2)cc1.
What is the InChIKey of 3-[2-(4-hexylcyclohexyl)ethyl]-6-(4-hexylphenyl)pyridazine?
The InChIKey is HVIBMLFKDKUGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H46N2/c1-3-5-7-9-11-25-13-15-27(16-14-25)19-22-29-23-24-30(32-31-29)28-20-17-26(18-21-28)12-10-8-6-4-2/h17-18,20-21,23-25,27H,3-16,19,22H2,1-2H3.
What are the key properties of 3-[2-(4-hexylcyclohexyl)ethyl]-6-(4-hexylphenyl)pyridazine?
3-[2-(4-hexylcyclohexyl)ethyl]-6-(4-hexylphenyl)pyridazine has a molecular weight of 434.71 g/mol, XLogP of 8.98, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-hexylcyclohexyl)ethyl]-6-(4-hexylphenyl)pyridazine is sourced from PubChem (CID 139778801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).