Decamethonium

C₁₆H₃₈N₂+2 — CID 2968

About Decamethonium

Decamethonium (PubChem CID 2968) has the molecular formula C₁₆H₃₈N₂+2 and a molecular weight of 258.49 g/mol. Its IUPAC name is trimethyl-[10-(trimethylazaniumyl)decyl]azanium.

Molecular Properties

• Compound Name: Decamethonium
• PubChem CID: 2968
• Molecular Formula: C₁₆H₃₈N₂+2
• Molecular Weight: 258.49 g/mol
• Exact Mass: 258.30
• IUPAC Name: trimethyl-[10-(trimethylazaniumyl)decyl]azanium
• SMILES: C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C
• InChI: InChI=1S/C16H38N2/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6/h7-16H2,1-6H3/q+2
• InChIKey: MTCUAOILFDZKCO-UHFFFAOYSA-N
• XLogP: 3.52
• TPSA: 0.00 Ų
• Rotatable Bonds: 11
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	258.49
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Decamethonium?

The IUPAC name of Decamethonium (CID 2968) is trimethyl-[10-(trimethylazaniumyl)decyl]azanium.

What is the SMILES notation for Decamethonium?

The canonical SMILES for Decamethonium is C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C.

What is the InChIKey of Decamethonium?

The InChIKey is MTCUAOILFDZKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H38N2/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6/h7-16H2,1-6H3/q+2.

What are the key properties of Decamethonium?

Decamethonium has a molecular weight of 258.49 g/mol, XLogP of 3.52, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for Decamethonium is sourced from PubChem (CID 2968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 2968 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 789 — approved-drug record (CC BY-SA 4.0)

How this page is built: methodology · editorial policy & corrections.