Rimantadine

C₁₂H₂₁N — CID 5071

About Rimantadine

Rimantadine (PubChem CID 5071) has the molecular formula C₁₂H₂₁N and a molecular weight of 179.31 g/mol. Its IUPAC name is 1-(1-adamantyl)ethanamine.

Molecular Properties

• Compound Name: Rimantadine
• PubChem CID: 5071
• Molecular Formula: C₁₂H₂₁N
• Molecular Weight: 179.31 g/mol
• Exact Mass: 179.17
• IUPAC Name: 1-(1-adamantyl)ethanamine
• SMILES: CC(N)C12CC3CC(CC(C3)C1)C2
• InChI: InChI=1S/C12H21N/c1-8(13)12-5-9-2-10(6-12)4-11(3-9)7-12/h8-11H,2-7,13H2,1H3
• InChIKey: UBCHPRBFMUDMNC-UHFFFAOYSA-N
• XLogP: 2.55
• TPSA: 26.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 1
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	179.31
LogP ≤ 5	2.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of Rimantadine?

The IUPAC name of Rimantadine (CID 5071) is 1-(1-adamantyl)ethanamine.

What is the SMILES notation for Rimantadine?

The canonical SMILES for Rimantadine is CC(N)C12CC3CC(CC(C3)C1)C2.

What is the InChIKey of Rimantadine?

The InChIKey is UBCHPRBFMUDMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-8(13)12-5-9-2-10(6-12)4-11(3-9)7-12/h8-11H,2-7,13H2,1H3.

What are the key properties of Rimantadine?

Rimantadine has a molecular weight of 179.31 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for Rimantadine is sourced from PubChem (CID 5071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 5071 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 2383 — approved-drug record (CC BY-SA 4.0)

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