N-(2,3-dihydro-1H-inden-5-ylmethyl)cyclopentanamine hydrochloride

• ChemBase ID: 269854
• Molecular Formular: C15H22ClN
• Molecular Mass: 251.79488
• Monoisotopic Mass: 251.14407739
• SMILES: c12c(ccc(c1)CNC1CCCC1)CCC2.Cl
• Canonical SMILES: C1CCC(C1)NCc1ccc2c(c1)CCC2.Cl
• InChI: InChI=1S/C15H21N.ClH/c1-2-7-15(6-1)16-11-12-8-9-13-4-3-5-14(13)10-12;/h8-10,15-16H,1-7,11H2;1H
• InChIKey: CVWYSDCFTFJKBS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,3-dihydro-1H-inden-5-ylmethyl)cyclopentanamine hydrochloride
• IUPAC Traditional name: N-(2,3-dihydro-1H-inden-5-ylmethyl)cyclopentanamine hydrochloride
• Synonyms: N-(2,3-dihydro-1H-inden-5-ylmethyl)cyclopentanamine hydrochloride

Database IDs

• MDL Number: MFCD17167161
• PubChem SID: 164325764
• PubChem CID: 50988041

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.67067695
• LogD (pH = 7.4): 1.3043203
• Log P: 3.8939822
• Molar Refractivity: 68.6004 cm^3
• Polarizability: 26.869442 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 167 - 169°C
• Hydrophobicity(logP): 3.995

Product Information

• Purity: 95%