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

• ChemBase ID: 245972
• Molecular Formular: C12H16N2
• Molecular Mass: 188.26884
• Monoisotopic Mass: 188.13134852
• SMILES: c12C(NC3CC3)CCCc2cccn1
• Canonical SMILES: c1ccc2c(n1)C(CCC2)NC1CC1
• InChI: InChI=1S/C12H16N2/c1-3-9-4-2-8-13-12(9)11(5-1)14-10-6-7-10/h2,4,8,10-11,14H,1,3,5-7H2
• InChIKey: DPCMPFLXANRCAX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD20668817
• PubChem SID: 164301882
• PubChem CID: 59666031

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.765436
• LogD (pH = 7.4): 0.922415
• Log P: 2.0019407
• Molar Refractivity: 56.095 cm^3
• Polarizability: 22.32417 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.57

Product Information

• Purity: 95%