N-methyladamantan-1-amine

• ChemBase ID: 24953
• Molecular Formular: C11H19N
• Molecular Mass: 165.27526
• Monoisotopic Mass: 165.15174961
• SMILES: C12(CC3CC(C1)CC(C2)C3)NC
• Canonical SMILES: CNC12CC3CC(C2)CC(C1)C3
• InChI: InChI=1S/C11H19N/c1-12-11-5-8-2-9(6-11)4-10(3-8)7-11/h8-10,12H,2-7H2,1H3
• InChIKey: NZOLSRPWNVZXTK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyladamantan-1-amine
• IUPAC Traditional name: N-methyladamantan-1-amine
• Synonyms: N-1-Adamantyl-N-methylamine

Database IDs

• CAS Number: 3717-38-2
• MDL Number: MFCD01674017
• PubChem SID: 160988260
• PubChem CID: 19476

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.3401213
• LogD (pH = 7.4): -1.1342521
• Log P: 1.898528
• Molar Refractivity: 50.3102 cm^3
• Polarizability: 20.35101 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false