(2H15)adamantan-1-amine

• ChemBase ID: 159756
• Molecular Formular: C10H17N
• Molecular Mass: 151.24868
• Monoisotopic Mass: 151.13609955
• SMILES: C1C2CC3CC1(N)CC(C2)C3
• Canonical SMILES: NC12CC3CC(C2)CC(C1)C3
• InChI: InChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2
• InChIKey: DKNWSYNQZKUICI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^2H₁₅)adamantan-1-amine
• IUPAC Traditional name: (^2H₁₅)adamantan-1-amine
• Synonyms: Tricyclo[3.3.1.13,7]decan-d15-1-amine Hydrochloride; EXP-105-1-d15; NSC-83653-d15; Adekin-d15; Lysovir-d15; Mantadan-d15; Mantadine-d15; Mantadix-d15; Symmetrel-d15; Virofral-d15; 1-Adamantan-d15-amine; Amantadine-d15 Hydrochloride

Database IDs

• PubChem SID: 162253891
• PubChem CID: 45038100

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.5643042
• LogD (pH = 7.4): -1.3837394
• Log P: 1.4659475
• Molar Refractivity: 45.5356 cm^3
• Polarizability: 18.504875 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Methanol; Water
• Apperance: Off-White to Pale Yellow Solid
• Melting Point: 234-236°C

Safety Information

• Storage Condition: -20°C Freezer, Under Inert Atmosphere

DETAILS

Toronto Research Chemicals - A575822

NMDA-receptor antagonist. Antiviral; antiparkinsonian.

REFERENCES

• Vernier, V.G., et al; Toxicol. Appl. Pharmacol., 15, 642 (1969)
• Kirschbaum, J., et al.: Anal. Profiles Drug Subs., 12, 1 (1969)