1-(pyrrolidin-1-ylmethyl)cyclopropan-1-amine dihydrochloride

• ChemBase ID: 71989
• Molecular Formular: C8H18Cl2N2
• Molecular Mass: 213.14792
• Monoisotopic Mass: 212.08470395
• SMILES: C1C(C1)(N)CN1CCCC1.Cl.Cl
• Canonical SMILES: NC1(CC1)CN1CCCC1.Cl.Cl
• InChI: InChI=1S/C8H16N2.2ClH/c9-8(3-4-8)7-10-5-1-2-6-10;;/h1-7,9H2;2*1H
• InChIKey: RXWUOMLNNUFEET-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(pyrrolidin-1-ylmethyl)cyclopropan-1-amine dihydrochloride
• IUPAC Traditional name: 1-(pyrrolidin-1-ylmethyl)cyclopropan-1-amine dihydrochloride
• Synonyms: [1-(Pyrrolidin-1-ylmethyl)cyclopropyl]-amine dihydrochloride

Database IDs

• PubChem SID: 162103847
• PubChem CID: 71299925

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.981617
• LogD (pH = 7.4): -2.7893672
• Log P: 0.18831638
• Molar Refractivity: 42.5797 cm^3
• Polarizability: 17.072641 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT