5-aminoadamantan-2-ol

• ChemBase ID: 35822
• Molecular Formular: C10H17NO
• Molecular Mass: 167.24808
• Monoisotopic Mass: 167.13101417
• SMILES: C12CC3(CC(C1)C(C(C2)C3)O)N
• Canonical SMILES: OC1C2CC3CC1CC(C2)(C3)N
• InChI: InChI=1S/C10H17NO/c11-10-3-6-1-7(4-10)9(12)8(2-6)5-10/h6-9,12H,1-5,11H2
• InChIKey: IQZMKGCMSXOILZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-aminoadamantan-2-ol
• IUPAC Traditional name: 5-aminoadamantan-2-ol
• Synonyms: 5-Aminoadamantan-2-ol

Database IDs

• MDL Number: MFCD09035852
• PubChem SID: 160999129
• PubChem CID: 6421647

CALCULATED PROPERTIES

• LogD (pH = 7.4): -2.48368
• Log P: 0.23513648
• Molar Refractivity: 47.0511 cm^3
• Polarizability: 19.106407 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• Acid pKa: 14.688583
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.7922068

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false