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

C32H50N2 — CID 139778532

IUPAC3-heptyl-6-[4-[2-(4-heptylcyclohexyl)ethyl]phenyl]pyridazine
SMILESCCCCCCCc1ccc(-c2ccc(CCC3CCC(CCCCCCC)CC3)cc2)nn1
InChIInChI=1S/C32H50N2/c1-3-5-7-9-11-13-27-15-17-28(18-16-27)19-20-29-21-23-30(24-22-29)32-26-25-31(33-34-32)14-12-10-8-6-4-2/h21-28H,3-20H2,1-2H3
InChIKeyZRBNFJMSXXQHMV-UHFFFAOYSA-N
MW462.77 g/mol
LogP9.76
Rot. Bonds16

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

3-heptyl-6-[4-[2-(4-heptylcyclohexyl)ethyl]phenyl]pyridazine (PubChem CID 139778532) has the molecular formula C32H50N2 and a molecular weight of 462.77 g/mol. Its IUPAC name is 3-heptyl-6-[4-[2-(4-heptylcyclohexyl)ethyl]phenyl]pyridazine.

Molecular Properties

Compound Name3-heptyl-6-[4-[2-(4-heptylcyclohexyl)ethyl]phenyl]pyridazine
PubChem CID139778532
Molecular FormulaC32H50N2
Molecular Weight462.77 g/mol
Exact Mass462.40
IUPAC Name3-heptyl-6-[4-[2-(4-heptylcyclohexyl)ethyl]phenyl]pyridazine
SMILESCCCCCCCc1ccc(-c2ccc(CCC3CCC(CCCCCCC)CC3)cc2)nn1
InChIInChI=1S/C32H50N2/c1-3-5-7-9-11-13-27-15-17-28(18-16-27)19-20-29-21-23-30(24-22-29)32-26-25-31(33-34-32)14-12-10-8-6-4-2/h21-28H,3-20H2,1-2H3
InChIKeyZRBNFJMSXXQHMV-UHFFFAOYSA-N
XLogP9.76
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.77
LogP ≤ 59.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-heptyl-6-[4-[2-(4-heptylcyclohexyl)ethyl]phenyl]pyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-(4-hexylcyclohexyl)ethyl]-6-(4-hexylphenyl)pyridazine
CID 139778801
3-[2-(4-heptylcyclohexyl)ethyl]-6-(4-propylphenyl)pyridazine
CID 139778999
3-[2-(4-pentylcyclohexyl)ethyl]-6-(4-propylphenyl)pyridazine
CID 139778915
3-[2-(4-butylcyclohexyl)ethyl]-6-(4-hexylphenyl)pyridazine
CID 139778747
3-(4-hexylphenyl)-6-[2-(4-methylcyclohexyl)ethyl]pyridazine
CID 139778718
5-octyl-2-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]pyridine
CID 18609154
3-[3-fluoro-4-[2-(4-heptylcyclohexyl)ethyl]phenyl]-6-heptylpyridazine
CID 139778666
3-(9-cyclopropylnonyl)-6-(5-heptyl-2-pyridinyl)pyridazine
CID 22412964
3-[2-fluoro-4-[2-(4-pentylcyclohexyl)ethyl]phenyl]-6-pentylpyridazine
CID 67787858
5-ethyl-2-[4-[2-(4-octylcyclohexyl)ethyl]phenyl]pyridine
CID 18609134
3-[4-[2-(4-butylcyclohexyl)ethyl]phenyl]-6-methoxypyridazine
CID 139778550
3-(4-decylphenyl)-6-propylpyridazine
CID 13360938

Frequently Asked Questions

What is the IUPAC name of 3-heptyl-6-[4-[2-(4-heptylcyclohexyl)ethyl]phenyl]pyridazine?
The IUPAC name of 3-heptyl-6-[4-[2-(4-heptylcyclohexyl)ethyl]phenyl]pyridazine (CID 139778532) is 3-heptyl-6-[4-[2-(4-heptylcyclohexyl)ethyl]phenyl]pyridazine.
What is the SMILES notation for 3-heptyl-6-[4-[2-(4-heptylcyclohexyl)ethyl]phenyl]pyridazine?
The canonical SMILES for 3-heptyl-6-[4-[2-(4-heptylcyclohexyl)ethyl]phenyl]pyridazine is CCCCCCCc1ccc(-c2ccc(CCC3CCC(CCCCCCC)CC3)cc2)nn1.
What is the InChIKey of 3-heptyl-6-[4-[2-(4-heptylcyclohexyl)ethyl]phenyl]pyridazine?
The InChIKey is ZRBNFJMSXXQHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H50N2/c1-3-5-7-9-11-13-27-15-17-28(18-16-27)19-20-29-21-23-30(24-22-29)32-26-25-31(33-34-32)14-12-10-8-6-4-2/h21-28H,3-20H2,1-2H3.
What are the key properties of 3-heptyl-6-[4-[2-(4-heptylcyclohexyl)ethyl]phenyl]pyridazine?
3-heptyl-6-[4-[2-(4-heptylcyclohexyl)ethyl]phenyl]pyridazine has a molecular weight of 462.77 g/mol, XLogP of 9.76, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-heptyl-6-[4-[2-(4-heptylcyclohexyl)ethyl]phenyl]pyridazine is sourced from PubChem (CID 139778532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).