methyl[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]amine

• ChemBase ID: 101152
• Molecular Formular: C16H25N
• Molecular Mass: 231.3764
• Monoisotopic Mass: 231.19869981
• SMILES: c12c(C(CCC1(C)C)(C)C)ccc(c2)CNC
• Canonical SMILES: CNCc1ccc2c(c1)C(C)(C)CCC2(C)C
• InChI: InChI=1S/C16H25N/c1-15(2)8-9-16(3,4)14-10-12(11-17-5)6-7-13(14)15/h6-7,10,17H,8-9,11H2,1-5H3
• InChIKey: QBMLVHULRZTDKY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]amine
• IUPAC Traditional name: methyl[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]amine
• Synonyms: N,5,5,8,8-pentamethyl-(5,6,7,8-tetrahydronaphth-2-ylmethyl)amine

Database IDs

• CAS Number: 950603-16-4
• MDL Number: MFCD09966144
• PubChem SID: 162086730
• PubChem CID: 42555803

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.9596003
• LogD (pH = 7.4): 1.8870959
• Log P: 4.1579814
• Molar Refractivity: 74.8356 cm^3
• Polarizability: 29.457186 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%