[2,2-dimethyl-3-(methylamino)propyl](methyl)[2-(pyrrolidin-1-yl)ethyl]amine

• ChemBase ID: 244929
• Molecular Formular: C13H29N3
• Molecular Mass: 227.38946
• Monoisotopic Mass: 227.23614794
• SMILES: N1(CCN(CC(CNC)(C)C)C)CCCC1
• Canonical SMILES: CNCC(CN(CCN1CCCC1)C)(C)C
• InChI: InChI=1S/C13H29N3/c1-13(2,11-14-3)12-15(4)9-10-16-7-5-6-8-16/h14H,5-12H2,1-4H3
• InChIKey: MFSCLDFFZUFREX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2,2-dimethyl-3-(methylamino)propyl](methyl)[2-(pyrrolidin-1-yl)ethyl]amine
• IUPAC Traditional name: [2,2-dimethyl-3-(methylamino)propyl](methyl)[2-(pyrrolidin-1-yl)ethyl]amine
• Synonyms: [2,2-dimethyl-3-(methylamino)propyl](methyl)[2-(pyrrolidin-1-yl)ethyl]amine

Database IDs

• MDL Number: MFCD18293589
• PubChem SID: 164300839
• PubChem CID: 63210916

CALCULATED PROPERTIES

• LogD (pH = 7.4): -3.5449593
• Log P: 1.281843
• Molar Refractivity: 71.8973 cm^3
• Polarizability: 28.563572 Å^3
• Polar Surface Area: 18.51 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.3148

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.216

Product Information

• Purity: 95%