4-ethyl-1-methylpyrrolidin-3-amine dihydrochloride

• ChemBase ID: 247933
• Molecular Formular: C7H18Cl2N2
• Molecular Mass: 201.13722
• Monoisotopic Mass: 200.08470395
• SMILES: N1(CC(C(C1)N)CC)C.Cl.Cl
• Canonical SMILES: CCC1CN(CC1N)C.Cl.Cl
• InChI: InChI=1S/C7H16N2.2ClH/c1-3-6-4-9(2)5-7(6)8;;/h6-7H,3-5,8H2,1-2H3;2*1H
• InChIKey: MDCCOEPCIUSVHV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethyl-1-methylpyrrolidin-3-amine dihydrochloride
• IUPAC Traditional name: 4-ethyl-1-methylpyrrolidin-3-amine dihydrochloride
• Synonyms: 4-ethyl-1-methylpyrrolidin-3-amine dihydrochloride

Database IDs

• PubChem SID: 164303843
• PubChem CID: 71758341

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.6487684
• LogD (pH = 7.4): -2.4491968
• Log P: 0.26527974
• Molar Refractivity: 39.5219 cm^3
• Polarizability: 15.965017 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.612

Product Information

• Purity: 95%