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

• ChemBase ID: 122456
• Molecular Formular: C10H19N3
• Molecular Mass: 181.27796
• Monoisotopic Mass: 181.15789762
• SMILES: C12(C(C3(CN(C2)CN(C1)C3)C)N)C
• Canonical SMILES: NC1C2(C)CN3CC1(C)CN(C2)C3
• InChI: InChI=1S/C10H19N3/c1-9-3-12-5-10(2,8(9)11)6-13(4-9)7-12/h8H,3-7,11H2,1-2H3
• InChIKey: BUCSFUAMLHKDLP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 162216809
• PubChem CID: 602227

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.3928914
• LogD (pH = 7.4): -2.3828435
• Log P: -0.050945166
• Molar Refractivity: 52.7439 cm^3
• Polarizability: 21.55002 Å^3
• Polar Surface Area: 32.5 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true