N,N-dimethyladamantan-1-amine

• ChemBase ID: 120455
• Molecular Formular: C12H21N
• Molecular Mass: 179.30184
• Monoisotopic Mass: 179.16739968
• SMILES: C12(CC3CC(C2)CC(C1)C3)N(C)C
• Canonical SMILES: CN(C12CC3CC(C2)CC(C1)C3)C
• InChI: InChI=1S/C12H21N/c1-13(2)12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11H,3-8H2,1-2H3
• InChIKey: NFBYCNFAXLUGBT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyladamantan-1-amine
• IUPAC Traditional name: N,N-dimethyladamantan-1-amine
• Synonyms: (3s,5s,7s)-N,N-dimethyladamantan-1-amine

Database IDs

• PubChem SID: 162214808
• PubChem CID: 19478

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -1.2095743
• LogD (pH = 7.4): -0.75822544
• Log P: 2.281576
• Molar Refractivity: 55.6049 cm^3
• Polarizability: 22.19729 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true