butyl(methyl)(pyrrolidin-3-ylmethyl)amine dihydrochloride

• ChemBase ID: 48155
• Molecular Formular: C10H24Cl2N2
• Molecular Mass: 243.21696
• Monoisotopic Mass: 242.13165414
• SMILES: N1CC(CN(CCCC)C)CC1.Cl.Cl
• Canonical SMILES: CCCCN(CC1CNCC1)C.Cl.Cl
• InChI: InChI=1S/C10H22N2.2ClH/c1-3-4-7-12(2)9-10-5-6-11-8-10;;/h10-11H,3-9H2,1-2H3;2*1H
• InChIKey: BNVJOOJWRKISQH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: butyl(methyl)(pyrrolidin-3-ylmethyl)amine dihydrochloride
• IUPAC Traditional name: butyl(methyl)(pyrrolidin-3-ylmethyl)amine dihydrochloride
• Synonyms: N-Methyl-N-(3-pyrrolidinylmethyl)-1-butanamine dihydrochloride

Database IDs

• MDL Number: MFCD13561695
• PubChem SID: 162052918
• PubChem CID: 56831711

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.999811
• LogD (pH = 7.4): -3.2053404
• Log P: 1.2154155
• Molar Refractivity: 54.1363 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