4-[(cyclopropylamino)methyl]-N,N-dimethylaniline

• ChemBase ID: 255601
• Molecular Formular: C12H18N2
• Molecular Mass: 190.28472
• Monoisotopic Mass: 190.14699859
• SMILES: C1(CC1)NCc1ccc(N(C)C)cc1
• Canonical SMILES: CN(c1ccc(cc1)CNC1CC1)C
• InChI: InChI=1S/C12H18N2/c1-14(2)12-7-3-10(4-8-12)9-13-11-5-6-11/h3-4,7-8,11,13H,5-6,9H2,1-2H3
• InChIKey: KLADCJFMNVMLCQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(cyclopropylamino)methyl]-N,N-dimethylaniline
• IUPAC Traditional name: 4-[(cyclopropylamino)methyl]-N,N-dimethylaniline
• Synonyms: 4-[(cyclopropylamino)methyl]-N,N-dimethylaniline

Database IDs

• MDL Number: MFCD00465458
• PubChem SID: 164311511
• PubChem CID: 4723889

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.1140885
• LogD (pH = 7.4): -0.032763425
• Log P: 2.1052032
• Molar Refractivity: 60.9458 cm^3
• Polarizability: 23.347185 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.029

Product Information

• Purity: 95%