Betahistine

C₈H₁₂N₂ — CID 2366

About Betahistine

Betahistine (PubChem CID 2366) has the molecular formula C₈H₁₂N₂ and a molecular weight of 136.20 g/mol. Its IUPAC name is N-methyl-2-pyridin-2-ylethanamine.

Molecular Properties

• Compound Name: Betahistine
• PubChem CID: 2366
• Molecular Formula: C₈H₁₂N₂
• Molecular Weight: 136.20 g/mol
• Exact Mass: 136.10
• IUPAC Name: N-methyl-2-pyridin-2-ylethanamine
• SMILES: CNCCc1ccccn1
• InChI: InChI=1S/C8H12N2/c1-9-7-5-8-4-2-3-6-10-8/h2-4,6,9H,5,7H2,1H3
• InChIKey: UUQMNUMQCIQDMZ-UHFFFAOYSA-N
• XLogP: 0.84
• TPSA: 24.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 10
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	136.20
LogP ≤ 5	0.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of Betahistine?

The IUPAC name of Betahistine (CID 2366) is N-methyl-2-pyridin-2-ylethanamine.

What is the SMILES notation for Betahistine?

The canonical SMILES for Betahistine is CNCCc1ccccn1.

What is the InChIKey of Betahistine?

The InChIKey is UUQMNUMQCIQDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-9-7-5-8-4-2-3-6-10-8/h2-4,6,9H,5,7H2,1H3.

What are the key properties of Betahistine?

Betahistine has a molecular weight of 136.20 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Betahistine is sourced from PubChem (CID 2366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 2366 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 346 — approved-drug record (CC BY-SA 4.0)

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