2,2,5,7-tetramethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-amine

• ChemBase ID: 122491
• Molecular Formular: C12H23N3
• Molecular Mass: 209.33112
• Monoisotopic Mass: 209.18919775
• SMILES: C12(C(C3(CN(C(N(C1)C3)(C)C)C2)C)N)C
• Canonical SMILES: NC1C2(C)CN3CC1(C)CN(C2)C3(C)C
• InChI: InChI=1S/C12H23N3/c1-10(2)14-5-11(3)6-15(10)8-12(4,7-14)9(11)13/h9H,5-8,13H2,1-4H3
• InChIKey: GZUACHUOBUQSOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,5,7-tetramethyl-1,3-diazatricyclo[3.3.1.1^3,^7]decan-6-amine
• IUPAC Traditional name: 2,2,5,7-tetramethyl-1,3-diazatricyclo[3.3.1.1^3,^7]decan-6-amine
• Synonyms: (1r,3r,5R,7S)-2,2,5,7-tetramethyl-1,3-diazaadamantan-6-amine

Database IDs

• PubChem SID: 162216844
• PubChem CID: 16394965

CALCULATED PROPERTIES

• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.3244045
• LogD (pH = 7.4): -1.9240961
• Log P: 0.42665043
• Molar Refractivity: 62.608 cm^3
• Polarizability: 25.24045 Å^3
• Polar Surface Area: 32.5 Å^2