N,N-dipropylpyrrolidin-3-amine dihydrochloride

• ChemBase ID: 48051
• Molecular Formular: C10H24Cl2N2
• Molecular Mass: 243.21696
• Monoisotopic Mass: 242.13165414
• SMILES: N1CC(N(CCC)CCC)CC1.Cl.Cl
• Canonical SMILES: CCCN(C1CNCC1)CCC.Cl.Cl
• InChI: InChI=1S/C10H22N2.2ClH/c1-3-7-12(8-4-2)10-5-6-11-9-10;;/h10-11H,3-9H2,1-2H3;2*1H
• InChIKey: ZRTGNIRTQLWVCF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dipropylpyrrolidin-3-amine dihydrochloride
• IUPAC Traditional name: N,N-dipropylpyrrolidin-3-amine dihydrochloride
• Synonyms: N,N-Dipropyl-3-pyrrolidinamine dihydrochloride

Database IDs

• MDL Number: MFCD13561596
• PubChem SID: 162052814
• PubChem CID: 53410676

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.5885646
• LogD (pH = 7.4): -1.5484121
• Log P: 1.5326287
• Molar Refractivity: 53.8243 cm^3
• Polarizability: 21.50448 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false