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

• ChemBase ID: 272698
• Molecular Formular: C11H16N2
• Molecular Mass: 176.25814
• Monoisotopic Mass: 176.13134852
• SMILES: N1c2c(CC(C1)N(C)C)cccc2
• Canonical SMILES: CN(C1CNc2c(C1)cccc2)C
• InChI: InChI=1S/C11H16N2/c1-13(2)10-7-9-5-3-4-6-11(9)12-8-10/h3-6,10,12H,7-8H2,1-2H3
• InChIKey: KQHONNUXIWFFAC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12808078
• PubChem SID: 164328608
• PubChem CID: 23539645

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6469737
• LogD (pH = 7.4): -0.06342825
• Log P: 1.564324
• Molar Refractivity: 57.2507 cm^3
• Polarizability: 21.423622 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.812

Product Information

• Purity: 95%