[(E)-10-(dimethylazaniumyl)-3,8-dimethyl-1,10-bis(2,2,6-trimethylcyclohexyl)dec-5-enyl]-dimethylazanium dichloride

C34H68Cl2N2 — CID 6434926

About [(E)-10-(dimethylazaniumyl)-3,8-dimethyl-1,10-bis(2,2,6-trimethylcyclohexyl)dec-5-enyl]-dimethylazanium dichloride

[(E)-10-(dimethylazaniumyl)-3,8-dimethyl-1,10-bis(2,2,6-trimethylcyclohexyl)dec-5-enyl]-dimethylazanium dichloride (PubChem CID 6434926) has the molecular formula C34H68Cl2N2 and a molecular weight of 575.84 g/mol. Its IUPAC name is [(E)-10-(dimethylazaniumyl)-3,8-dimethyl-1,10-bis(2,2,6-trimethylcyclohexyl)dec-5-enyl]-dimethylazanium dichloride.

Molecular Properties

• Compound Name: [(E)-10-(dimethylazaniumyl)-3,8-dimethyl-1,10-bis(2,2,6-trimethylcyclohexyl)dec-5-enyl]-dimethylazanium dichloride
• PubChem CID: 6434926
• Molecular Formula: C34H68Cl2N2
• Molecular Weight: 575.84 g/mol
• Exact Mass: 574.48
• IUPAC Name: [(E)-10-(dimethylazaniumyl)-3,8-dimethyl-1,10-bis(2,2,6-trimethylcyclohexyl)dec-5-enyl]-dimethylazanium dichloride
• SMILES: CC(C/C=C/CC(C)CC(C1C(C)CCCC1(C)C)[NH+](C)C)CC(C1C(C)CCCC1(C)C)[NH+](C)C.[Cl-].[Cl-]
• InChI: InChI=1S/C34H66N2.2ClH/c1-25(23-29(35(9)10)31-27(3)19-15-21-33(31,5)6)17-13-14-18-26(2)24-30(36(11)12)32-28(4)20-16-22-34(32,7)8;;/h13-14,25-32H,15-24H2,1-12H3;2*1H/b14-13+
• InChIKey: SOEMETCGYMXVSH-QDBORUFSSA-N
• XLogP: 0.33
• TPSA: 8.88 Ų
• H-Bond Donors: 2
• Rotatable Bonds: 12
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	575.84
LogP ≤ 5	0.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(E)-10-(dimethylazaniumyl)-3,8-dimethyl-1,10-bis(2,2,6-trimethylcyclohexyl)dec-5-enyl]-dimethylazanium dichloride?

The IUPAC name of [(E)-10-(dimethylazaniumyl)-3,8-dimethyl-1,10-bis(2,2,6-trimethylcyclohexyl)dec-5-enyl]-dimethylazanium dichloride (CID 6434926) is [(E)-10-(dimethylazaniumyl)-3,8-dimethyl-1,10-bis(2,2,6-trimethylcyclohexyl)dec-5-enyl]-dimethylazanium dichloride.

What is the SMILES notation for [(E)-10-(dimethylazaniumyl)-3,8-dimethyl-1,10-bis(2,2,6-trimethylcyclohexyl)dec-5-enyl]-dimethylazanium dichloride?

The canonical SMILES for [(E)-10-(dimethylazaniumyl)-3,8-dimethyl-1,10-bis(2,2,6-trimethylcyclohexyl)dec-5-enyl]-dimethylazanium dichloride is CC(C/C=C/CC(C)CC(C1C(C)CCCC1(C)C)[NH+](C)C)CC(C1C(C)CCCC1(C)C)[NH+](C)C.[Cl-].[Cl-].

What is the InChIKey of [(E)-10-(dimethylazaniumyl)-3,8-dimethyl-1,10-bis(2,2,6-trimethylcyclohexyl)dec-5-enyl]-dimethylazanium dichloride?

The InChIKey is SOEMETCGYMXVSH-QDBORUFSSA-N. The full InChI is InChI=1S/C34H66N2.2ClH/c1-25(23-29(35(9)10)31-27(3)19-15-21-33(31,5)6)17-13-14-18-26(2)24-30(36(11)12)32-28(4)20-16-22-34(32,7)8;;/h13-14,25-32H,15-24H2,1-12H3;2*1H/b14-13+;;.

What are the key properties of [(E)-10-(dimethylazaniumyl)-3,8-dimethyl-1,10-bis(2,2,6-trimethylcyclohexyl)dec-5-enyl]-dimethylazanium dichloride?

[(E)-10-(dimethylazaniumyl)-3,8-dimethyl-1,10-bis(2,2,6-trimethylcyclohexyl)dec-5-enyl]-dimethylazanium dichloride has a molecular weight of 575.84 g/mol, XLogP of 0.33, 12 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for [(E)-10-(dimethylazaniumyl)-3,8-dimethyl-1,10-bis(2,2,6-trimethylcyclohexyl)dec-5-enyl]-dimethylazanium dichloride is sourced from PubChem (CID 6434926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).