1,1-bis(tert-butylamino)-3,3-dimethylbutan-1-ium perchlorate

• ChemBase ID: 85108
• Molecular Formular: C14H31ClN2O4
• Molecular Mass: 326.85994
• Monoisotopic Mass: 326.19723516
• SMILES: [Cl](=O)(=O)(=O)[O-].N([C+](NC(C)(C)C)CC(C)(C)C)C(C)(C)C
• Canonical SMILES: CC(C[C+](NC(C)(C)C)NC(C)(C)C)(C)C.[O-][Cl](=O)(=O)=O
• InChI: InChI=1S/C14H30N2.ClHO4/c1-12(2,3)10-11(15-13(4,5)6)16-14(7,8)9;2-1(3,4)5/h10H2,1-9H3,(H,15,16);(H,2,3,4,5)
• InChIKey: ZHIYPQFLVUXUSD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1-bis(tert-butylamino)-3,3-dimethylbutan-1-ium perchlorate
• IUPAC Traditional name: 1,1-bis(tert-butylamino)-3,3-dimethylbutan-1-ium perchlorate ion
• Synonyms: 1,1-Di(t-butylamino)-3,3-dimethylbutenium perchlorate

Database IDs

• MDL Number: MFCD00276791
• PubChem SID: 162072224
• PubChem CID: 44119036

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.626
• LogD (pH = 7.4): 2.626
• Log P: 2.626
• Molar Refractivity: 84.3117 cm^3
• Polarizability: 29.785887 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true