[(1-ethyl-1H-pyrrol-2-yl)methyl](methyl)amine

• ChemBase ID: 234927
• Molecular Formular: C8H14N2
• Molecular Mass: 138.21016
• Monoisotopic Mass: 138.11569846
• SMILES: n1(c(ccc1)CNC)CC
• Canonical SMILES: CNCc1cccn1CC
• InChI: InChI=1S/C8H14N2/c1-3-10-6-4-5-8(10)7-9-2/h4-6,9H,3,7H2,1-2H3
• InChIKey: LDLOQRCPVSDJEC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(1-ethyl-1H-pyrrol-2-yl)methyl](methyl)amine
• IUPAC Traditional name: [(1-ethylpyrrol-2-yl)methyl](methyl)amine
• Synonyms: [(1-ethyl-1H-pyrrol-2-yl)methyl](methyl)amine

Database IDs

• MDL Number: MFCD18453014
• PubChem SID: 164290837
• PubChem CID: 46784849

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.9911226
• LogD (pH = 7.4): -0.64650697
• Log P: 1.1119639
• Molar Refractivity: 43.5876 cm^3
• Polarizability: 16.86181 Å^3
• Polar Surface Area: 16.96 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.111

Product Information

• Purity: 95%