8-(2,5-dimethylpyrrolidin-1-yl)-1,2,3,4-tetrahydroquinoline

• ChemBase ID: 261468
• Molecular Formular: C15H22N2
• Molecular Mass: 230.34858
• Monoisotopic Mass: 230.17829871
• SMILES: N1(c2c3NCCCc3ccc2)C(CCC1C)C
• Canonical SMILES: CC1CCC(N1c1cccc2c1NCCC2)C
• InChI: InChI=1S/C15H22N2/c1-11-8-9-12(2)17(11)14-7-3-5-13-6-4-10-16-15(13)14/h3,5,7,11-12,16H,4,6,8-10H2,1-2H3
• InChIKey: JYBQETGVRAXPQJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(2,5-dimethylpyrrolidin-1-yl)-1,2,3,4-tetrahydroquinoline
• IUPAC Traditional name: 8-(2,5-dimethylpyrrolidin-1-yl)-1,2,3,4-tetrahydroquinoline
• Synonyms: 8-(2,5-dimethylpyrrolidin-1-yl)-1,2,3,4-tetrahydroquinoline

Database IDs

• MDL Number: MFCD12912890
• PubChem SID: 164317378
• PubChem CID: 45791803

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.1215203
• LogD (pH = 7.4): 3.275119
• Log P: 3.2774725
• Molar Refractivity: 74.9696 cm^3
• Polarizability: 27.668856 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.502

Product Information

• Purity: 95%