2,3,3-trimethylbicyclo[2.2.1]heptan-2-amine hydrochloride

• ChemBase ID: 165792
• Molecular Formular: C10H20ClN
• Molecular Mass: 189.7255
• Monoisotopic Mass: 189.12842733
• SMILES: Cl.C1C2C(C(C(C1)C2)(N)C)(C)C
• Canonical SMILES: CC1(C)C2CCC(C1(C)N)C2.Cl
• InChI: InChI=1S/C10H19N.ClH/c1-9(2)7-4-5-8(6-7)10(9,3)11;/h7-8H,4-6,11H2,1-3H3;1H
• InChIKey: FAIKCZMVIWRFBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3,3-trimethylbicyclo[2.2.1]heptan-2-amine hydrochloride
• IUPAC Traditional name: 2,3,3-trimethylbicyclo[2.2.1]heptan-2-amine hydrochloride
• Synonyms: 2,3,3-Trimethylbicyclo[2.2.1]heptan-2-amine Hydrochloride; 2,3,3-Trimethyl-2-Norcamphanamine Hydrochloride; N-Demethyl Mecamylamine

Database IDs

• CAS Number: 859995-07-6
• PubChem SID: 162259925
• PubChem CID: 71315395

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.0873626
• LogD (pH = 7.4): -0.8219082
• Log P: 1.9410594
• Molar Refractivity: 47.0579 cm^3
• Polarizability: 19.244478 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - D231155

Mecamylamine (M202600) derivative, used for the prevention of neuronal damage induced by hypoxia, anoxia, or ischemia.

REFERENCES

• Stone, C.A., et al.: J. Med. Pharm. Chem., 5 665 (1962)