1-[(diethylamino)methyl]cyclopropan-1-amine

• ChemBase ID: 307954
• Molecular Formular: C8H18N2
• Molecular Mass: 142.24192
• Monoisotopic Mass: 142.14699859
• SMILES: C1(CC1)(CN(CC)CC)N
• Canonical SMILES: CCN(CC1(N)CC1)CC
• InChI: InChI=1S/C8H18N2/c1-3-10(4-2)7-8(9)5-6-8/h3-7,9H2,1-2H3
• InChIKey: AFLJYQVZKSWYLC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(diethylamino)methyl]cyclopropan-1-amine
• IUPAC Traditional name: 1-[(diethylamino)methyl]cyclopropan-1-amine
• Synonyms: 1-[(diethylamino)methyl]cyclopropanamine

Database IDs

• CAS Number: 1015846-24-8
• MDL Number: MFCD09971210

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.3522882
• LogD (pH = 7.4): -2.1577454
• Log P: 0.49613482
• Molar Refractivity: 44.5359 cm^3
• Polarizability: 17.811394 Å^3
• Polar Surface Area: 29.26 Å^2