dimethyl(2,2,3-trimethylbut-3-en-1-yl)amine; perchloric acid

• ChemBase ID: 83517
• Molecular Formular: C9H20ClNO4
• Molecular Mass: 241.7124
• Monoisotopic Mass: 241.10808581
• SMILES: [Cl](=O)(=O)(=O)O.N(CC(C(=C)C)(C)C)(C)C
• Canonical SMILES: O[Cl](=O)(=O)=O.CN(CC(C(=C)C)(C)C)C
• InChI: InChI=1S/C9H19N.ClHO4/c1-8(2)9(3,4)7-10(5)6;2-1(3,4)5/h1,7H2,2-6H3;(H,2,3,4,5)
• InChIKey: MVJWTUHZILUVQL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl(2,2,3-trimethylbut-3-en-1-yl)amine; perchloric acid
• IUPAC Traditional name: dimethyl(2,2,3-trimethylbut-3-en-1-yl)amine; perchloric acid
• Synonyms: N,N-dimethyl-N-(2,2,3-trimethylbut-3-enyl)amine perchlorate

Database IDs

• MDL Number: MFCD00101451
• PubChem SID: 162070635
• PubChem CID: 2780432

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -1.2327827
• LogD (pH = 7.4): -0.120241925
• Log P: 2.1964154
• Molar Refractivity: 47.0575 cm^3
• Polarizability: 18.653461 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true