Methenamine

C₆H₁₂N₄ — CID 4101

About Methenamine

Methenamine (PubChem CID 4101) has the molecular formula C₆H₁₂N₄ and a molecular weight of 140.19 g/mol. Its IUPAC name is 1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane.

Molecular Properties

• Compound Name: Methenamine
• PubChem CID: 4101
• Molecular Formula: C₆H₁₂N₄
• Molecular Weight: 140.19 g/mol
• Exact Mass: 140.11
• IUPAC Name: 1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane
• SMILES: C1N2CN3CN1CN(C2)C3
• InChI: InChI=1S/C6H12N4/c1-7-2-9-4-8(1)5-10(3-7)6-9/h1-6H2
• InChIKey: VKYKSIONXSXAKP-UHFFFAOYSA-N
• XLogP: -1.02
• TPSA: 12.96 Ų
• H-Bond Acceptors: 4
• Heavy Atoms: 10
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	140.19
LogP ≤ 5	-1.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of Methenamine?

The IUPAC name of Methenamine (CID 4101) is 1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane.

What is the SMILES notation for Methenamine?

The canonical SMILES for Methenamine is C1N2CN3CN1CN(C2)C3.

What is the InChIKey of Methenamine?

The InChIKey is VKYKSIONXSXAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4/c1-7-2-9-4-8(1)5-10(3-7)6-9/h1-6H2.

What are the key properties of Methenamine?

Methenamine has a molecular weight of 140.19 g/mol, XLogP of -1.02, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Methenamine is sourced from PubChem (CID 4101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 4101 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 3344 — approved-drug record (CC BY-SA 4.0)

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