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

• ChemBase ID: 244600
• Molecular Formular: C12H18N2
• Molecular Mass: 190.28472
• Monoisotopic Mass: 190.14699859
• SMILES: c12ncccc1CCCC2NCCC
• Canonical SMILES: CCCNC1CCCc2c1nccc2
• InChI: InChI=1S/C12H18N2/c1-2-8-13-11-7-3-5-10-6-4-9-14-12(10)11/h4,6,9,11,13H,2-3,5,7-8H2,1H3
• InChIKey: CEQKAGKGPVMRMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD21790635
• PubChem SID: 164300510
• PubChem CID: 59761378

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.60877025
• LogD (pH = 7.4): 0.88257974
• Log P: 2.4157066
• Molar Refractivity: 58.1564 cm^3
• Polarizability: 23.062614 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.044

Product Information

• Purity: 95%