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

• ChemBase ID: 245971
• Molecular Formular: C12H18N2
• Molecular Mass: 190.28472
• Monoisotopic Mass: 190.14699859
• SMILES: c12C(NC(C)C)CCCc2cccn1
• Canonical SMILES: CC(NC1CCCc2c1nccc2)C
• InChI: InChI=1S/C12H18N2/c1-9(2)14-11-7-3-5-10-6-4-8-13-12(10)11/h4,6,8-9,11,14H,3,5,7H2,1-2H3
• InChIKey: MMIUIJWTEXAJOA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD21790639
• PubChem SID: 164301881
• PubChem CID: 59825993

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.68240577
• LogD (pH = 7.4): 0.85044324
• Log P: 2.3097591
• Molar Refractivity: 58.0512 cm^3
• Polarizability: 23.062614 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.824

Product Information

• Purity: 95%