N-methyl-5,6,7,8-tetrahydroquinolin-8-amine

• ChemBase ID: 245715
• Molecular Formular: C10H14N2
• Molecular Mass: 162.23156
• Monoisotopic Mass: 162.11569846
• SMILES: c12ncccc1CCCC2NC
• Canonical SMILES: CNC1CCCc2c1nccc2
• InChI: InChI=1S/C10H14N2/c1-11-9-6-2-4-8-5-3-7-12-10(8)9/h3,5,7,9,11H,2,4,6H2,1H3
• InChIKey: ZXTRMHOUGKPHHM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
• IUPAC Traditional name: N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
• Synonyms: N-methyl-5,6,7,8-tetrahydroquinolin-8-amine

Database IDs

• MDL Number: MFCD20528188
• PubChem SID: 164301625
• PubChem CID: 58985336

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.3762045
• LogD (pH = 7.4): 0.23230626
• Log P: 1.5363762
• Molar Refractivity: 48.8838 cm^3
• Polarizability: 19.370272 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.986

Product Information

• Purity: 95%