N-[(1-ethyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]cyclopentanamine

• ChemBase ID: 35655
• Molecular Formular: C17H26N2
• Molecular Mass: 258.40174
• Monoisotopic Mass: 258.20959884
• SMILES: c12N(CCCc1cc(cc2)CNC1CCCC1)CC
• Canonical SMILES: CCN1CCCc2c1ccc(c2)CNC1CCCC1
• InChI: InChI=1S/C17H26N2/c1-2-19-11-5-6-15-12-14(9-10-17(15)19)13-18-16-7-3-4-8-16/h9-10,12,16,18H,2-8,11,13H2,1H3
• InChIKey: OCPFRXNJHYZCGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-ethyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]cyclopentanamine
• IUPAC Traditional name: N-[(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methyl]cyclopentanamine
• Synonyms: N-[(1-Ethyl-1,2,3,4-tetrahydroquinolin-6-yl)-methyl]cyclopentanamine

Database IDs

• MDL Number: MFCD12027325
• PubChem SID: 160998962
• PubChem CID: 25219741

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.50356454
• LogD (pH = 7.4): 1.1884948
• Log P: 3.8356054
• Molar Refractivity: 82.807 cm^3
• Polarizability: 31.757599 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false