1-[(dimethylamino)methyl]cyclopropan-1-amine dihydrochloride

• ChemBase ID: 72004
• Molecular Formular: C6H16Cl2N2
• Molecular Mass: 187.11064
• Monoisotopic Mass: 186.06905388
• SMILES: C1C(C1)(CN(C)C)N.Cl.Cl
• Canonical SMILES: CN(CC1(N)CC1)C.Cl.Cl
• InChI: InChI=1S/C6H14N2.2ClH/c1-8(2)5-6(7)3-4-6;;/h3-5,7H2,1-2H3;2*1H
• InChIKey: QJGFVZLTXSTRAI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(dimethylamino)methyl]cyclopropan-1-amine dihydrochloride
• IUPAC Traditional name: 1-[(dimethylamino)methyl]cyclopropan-1-amine dihydrochloride
• Synonyms: [(1-Aminocyclopropyl)methyl]dimethylamine dihydrochloride

Database IDs

• PubChem SID: 162103853
• PubChem CID: 71299927

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.0130196
• LogD (pH = 7.4): -2.7194464
• Log P: -0.21748109
• Molar Refractivity: 35.0387 cm^3
• Polarizability: 14.118806 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT