3-[2-(4-heptylcyclohexyl)ethyl]-6-(4-propylphenyl)pyridazine

C28H42N2 — CID 139778999

IUPAC3-[2-(4-heptylcyclohexyl)ethyl]-6-(4-propylphenyl)pyridazine
SMILESCCCCCCCC1CCC(CCc2ccc(-c3ccc(CCC)cc3)nn2)CC1
InChIInChI=1S/C28H42N2/c1-3-5-6-7-8-10-24-11-13-25(14-12-24)17-20-27-21-22-28(30-29-27)26-18-15-23(9-4-2)16-19-26/h15-16,18-19,21-22,24-25H,3-14,17,20H2,1-2H3
InChIKeyDESCEEPQYXLZMH-UHFFFAOYSA-N
MW406.66 g/mol
LogP8.20
Rot. Bonds12

About 3-[2-(4-heptylcyclohexyl)ethyl]-6-(4-propylphenyl)pyridazine

3-[2-(4-heptylcyclohexyl)ethyl]-6-(4-propylphenyl)pyridazine (PubChem CID 139778999) has the molecular formula C28H42N2 and a molecular weight of 406.66 g/mol. Its IUPAC name is 3-[2-(4-heptylcyclohexyl)ethyl]-6-(4-propylphenyl)pyridazine.

Molecular Properties

Compound Name3-[2-(4-heptylcyclohexyl)ethyl]-6-(4-propylphenyl)pyridazine
PubChem CID139778999
Molecular FormulaC28H42N2
Molecular Weight406.66 g/mol
Exact Mass406.33
IUPAC Name3-[2-(4-heptylcyclohexyl)ethyl]-6-(4-propylphenyl)pyridazine
SMILESCCCCCCCC1CCC(CCc2ccc(-c3ccc(CCC)cc3)nn2)CC1
InChIInChI=1S/C28H42N2/c1-3-5-6-7-8-10-24-11-13-25(14-12-24)17-20-27-21-22-28(30-29-27)26-18-15-23(9-4-2)16-19-26/h15-16,18-19,21-22,24-25H,3-14,17,20H2,1-2H3
InChIKeyDESCEEPQYXLZMH-UHFFFAOYSA-N
XLogP8.20
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.66
LogP ≤ 58.20
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-pentylcyclohexyl)ethyl]-6-(4-propylphenyl)pyridazine
CID 139778915
3-[2-(4-hexylcyclohexyl)ethyl]-6-(4-hexylphenyl)pyridazine
CID 139778801
3-heptyl-6-[4-[2-(4-heptylcyclohexyl)ethyl]phenyl]pyridazine
CID 139778532
3-[2-(4-butylcyclohexyl)ethyl]-6-(4-hexylphenyl)pyridazine
CID 139778747
3-(4-hexylphenyl)-6-[2-(4-methylcyclohexyl)ethyl]pyridazine
CID 139778718
3-(3-fluoro-4-propylphenyl)-6-[2-(4-heptylcyclohexyl)ethyl]pyridazine
CID 139779136
3-(4-decylphenyl)-6-propylpyridazine
CID 13360938
3-[3-fluoro-4-[2-(4-hexylcyclohexyl)ethyl]phenyl]-6-propylpyridazine
CID 139778945
3-(4-hexoxyphenyl)-6-[2-(4-propylcyclohexyl)ethyl]pyridazine
CID 139779161
3-[3-fluoro-4-[2-(4-heptylcyclohexyl)ethyl]phenyl]-6-heptylpyridazine
CID 139778666
3-[2-(4-ethylcyclohexyl)ethyl]-6-(4-heptoxyphenyl)pyridazine
CID 139778846
3-(4-heptoxyphenyl)-6-[2-(4-methylcyclohexyl)ethyl]pyridazine
CID 139778646

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-heptylcyclohexyl)ethyl]-6-(4-propylphenyl)pyridazine?
The IUPAC name of 3-[2-(4-heptylcyclohexyl)ethyl]-6-(4-propylphenyl)pyridazine (CID 139778999) is 3-[2-(4-heptylcyclohexyl)ethyl]-6-(4-propylphenyl)pyridazine.
What is the SMILES notation for 3-[2-(4-heptylcyclohexyl)ethyl]-6-(4-propylphenyl)pyridazine?
The canonical SMILES for 3-[2-(4-heptylcyclohexyl)ethyl]-6-(4-propylphenyl)pyridazine is CCCCCCCC1CCC(CCc2ccc(-c3ccc(CCC)cc3)nn2)CC1.
What is the InChIKey of 3-[2-(4-heptylcyclohexyl)ethyl]-6-(4-propylphenyl)pyridazine?
The InChIKey is DESCEEPQYXLZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42N2/c1-3-5-6-7-8-10-24-11-13-25(14-12-24)17-20-27-21-22-28(30-29-27)26-18-15-23(9-4-2)16-19-26/h15-16,18-19,21-22,24-25H,3-14,17,20H2,1-2H3.
What are the key properties of 3-[2-(4-heptylcyclohexyl)ethyl]-6-(4-propylphenyl)pyridazine?
3-[2-(4-heptylcyclohexyl)ethyl]-6-(4-propylphenyl)pyridazine has a molecular weight of 406.66 g/mol, XLogP of 8.20, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-heptylcyclohexyl)ethyl]-6-(4-propylphenyl)pyridazine is sourced from PubChem (CID 139778999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).