N,N-dimethyl-1,2,3,4-tetrahydroquinolin-6-amine

• ChemBase ID: 252563
• Molecular Formular: C11H16N2
• Molecular Mass: 176.25814
• Monoisotopic Mass: 176.13134852
• SMILES: c1(cc2c(NCCC2)cc1)N(C)C
• Canonical SMILES: CN(c1ccc2c(c1)CCCN2)C
• InChI: InChI=1S/C11H16N2/c1-13(2)10-5-6-11-9(8-10)4-3-7-12-11/h5-6,8,12H,3-4,7H2,1-2H3
• InChIKey: OHCVHHJFTXAXQX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-1,2,3,4-tetrahydroquinolin-6-amine
• IUPAC Traditional name: N,N-dimethyl-1,2,3,4-tetrahydroquinolin-6-amine
• Synonyms: N,N-dimethyl-1,2,3,4-tetrahydroquinolin-6-amine

Database IDs

• MDL Number: MFCD08444398
• PubChem SID: 164308473
• PubChem CID: 16227293

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.55424005
• LogD (pH = 7.4): 1.8998922
• Log P: 2.0385249
• Molar Refractivity: 58.591 cm^3
• Polarizability: 21.022139 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.35

Product Information

• Purity: 95%