N-ethyladamantan-2-amine hydrochloride

• ChemBase ID: 255308
• Molecular Formular: C12H22ClN
• Molecular Mass: 215.76278
• Monoisotopic Mass: 215.14407739
• SMILES: C12C(C3CC(C1)CC(C3)C2)NCC.Cl
• Canonical SMILES: CCNC1C2CC3CC1CC(C2)C3.Cl
• InChI: InChI=1S/C12H21N.ClH/c1-2-13-12-10-4-8-3-9(6-10)7-11(12)5-8;/h8-13H,2-7H2,1H3;1H
• InChIKey: GWPKGFWIOTXVIN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyladamantan-2-amine hydrochloride
• IUPAC Traditional name: N-ethyladamantan-2-amine hydrochloride
• Synonyms: N-2-adamantyl-N-ethylamine hydrochloride

Database IDs

• MDL Number: MFCD09971526
• PubChem SID: 164311218
• PubChem CID: 17932538

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.9000497
• LogD (pH = 7.4): -0.75288016
• Log P: 2.3397322
• Molar Refractivity: 54.8922 cm^3
• Polarizability: 22.19729 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.67

Product Information

• Purity: 95%