N-cyclopropyl-N-methylcyclopropanamine hydrochloride

• ChemBase ID: 248366
• Molecular Formular: C7H14ClN
• Molecular Mass: 147.64576
• Monoisotopic Mass: 147.08147713
• SMILES: C1(N(C2CC2)C)CC1.Cl
• Canonical SMILES: CN(C1CC1)C1CC1.Cl
• InChI: InChI=1S/C7H13N.ClH/c1-8(6-2-3-6)7-4-5-7;/h6-7H,2-5H2,1H3;1H
• InChIKey: LMMDMWMRKGBNOZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-N-methylcyclopropanamine hydrochloride
• IUPAC Traditional name: N-cyclopropyl-N-methylcyclopropanamine hydrochloride
• Synonyms: N-cyclopropyl-N-methylcyclopropanamine hydrochloride

Database IDs

• PubChem SID: 164304276
• PubChem CID: 53408560

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -2.2551565
• LogD (pH = 7.4): -0.9445524
• Log P: 1.1212986
• Molar Refractivity: 34.4105 cm^3
• Polarizability: 13.705201 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 159 - 161°C
• Hydrophobicity(logP): 1.186

Product Information

• Purity: 95%