N-(2-methylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine

• ChemBase ID: 244532
• Molecular Formular: C13H20N2
• Molecular Mass: 204.3113
• Monoisotopic Mass: 204.16264865
• SMILES: c12ncccc2CCCC1NCC(C)C
• Canonical SMILES: CC(CNC1CCCc2c1nccc2)C
• InChI: InChI=1S/C13H20N2/c1-10(2)9-15-12-7-3-5-11-6-4-8-14-13(11)12/h4,6,8,10,12,15H,3,5,7,9H2,1-2H3
• InChIKey: LMXNFIHCTMSLCK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine
• IUPAC Traditional name: N-(2-methylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine
• Synonyms: N-(2-methylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine

Database IDs

• MDL Number: MFCD21790642
• PubChem SID: 164300442
• PubChem CID: 69094355

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.30159
• LogD (pH = 7.4): 1.090558
• Log P: 2.7806795
• Molar Refractivity: 62.628 cm^3
• Polarizability: 24.908974 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.443

Product Information

• Purity: 95%