N,N,4-trimethylpyrrolidin-3-amine

• ChemBase ID: 284499
• Molecular Formular: C7H16N2
• Molecular Mass: 128.21534
• Monoisotopic Mass: 128.13134852
• SMILES: C1(C(CNC1)C)N(C)C
• Canonical SMILES: CN(C1CNCC1C)C
• InChI: InChI=1S/C7H16N2/c1-6-4-8-5-7(6)9(2)3/h6-8H,4-5H2,1-3H3
• InChIKey: WPWPUGYLNCMHFP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N,4-trimethylpyrrolidin-3-amine
• IUPAC Traditional name: N,N,4-trimethylpyrrolidin-3-amine
• Synonyms: N,N,4-trimethylpyrrolidin-3-amine

Database IDs

• MDL Number: MFCD19227440
• PubChem SID: 180670030
• PubChem CID: 53740082

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.302573
• LogD (pH = 7.4): -2.8117
• Log P: 0.2532915
• Molar Refractivity: 39.6955 cm^3
• Polarizability: 15.965017 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.542

Product Information

• Purity: 95%