8-methyl-N-{8-methyl-8-azabicyclo[3.2.1]octan-3-yl}-8-azabicyclo[3.2.1]octan-3-amine

• ChemBase ID: 14960
• Molecular Formular: C16H29N3
• Molecular Mass: 263.42156
• Monoisotopic Mass: 263.23614794
• SMILES: C12CCC(N1C)CC(C2)NC1CC2CCC(N2C)C1
• Canonical SMILES: CN1C2CCC1CC(C2)NC1CC2CCC(C1)N2C
• InChI: InChI=1S/C16H29N3/c1-18-13-3-4-14(18)8-11(7-13)17-12-9-15-5-6-16(10-12)19(15)2/h11-17H,3-10H2,1-2H3
• InChIKey: CZSXHODTHRRSOA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methyl-N-{8-methyl-8-azabicyclo[3.2.1]octan-3-yl}-8-azabicyclo[3.2.1]octan-3-amine
• IUPAC Traditional name: 8-methyl-N-{8-methyl-8-azabicyclo[3.2.1]octan-3-yl}-8-azabicyclo[3.2.1]octan-3-amine
• Synonyms: Bis-(8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl)-amine

Database IDs

• MDL Number: MFCD06411481
• PubChem SID: 160978267
• PubChem CID: 3159029

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -7.1973686
• LogD (pH = 7.4): -3.7645078
• Log P: 0.911397
• Molar Refractivity: 79.3584 cm^3
• Polarizability: 31.885841 Å^3
• Polar Surface Area: 18.51 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false