N-(1-aminopropan-2-yl)-N-methylcyclopropanamine

• ChemBase ID: 269520
• Molecular Formular: C7H16N2
• Molecular Mass: 128.21534
• Monoisotopic Mass: 128.13134852
• SMILES: C1(N(C(CN)C)C)CC1
• Canonical SMILES: NCC(N(C1CC1)C)C
• InChI: InChI=1S/C7H16N2/c1-6(5-8)9(2)7-3-4-7/h6-7H,3-5,8H2,1-2H3
• InChIKey: CJNQYMXCJLLYEA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-aminopropan-2-yl)-N-methylcyclopropanamine
• IUPAC Traditional name: N-(1-aminopropan-2-yl)-N-methylcyclopropanamine
• Synonyms: N-(1-aminopropan-2-yl)-N-methylcyclopropanamine

Database IDs

• MDL Number: MFCD11623853
• PubChem SID: 164325430
• PubChem CID: 43264716

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.533511
• LogD (pH = 7.4): -2.2171328
• Log P: 0.2753252
• Molar Refractivity: 39.5679 cm^3
• Polarizability: 15.965017 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.57

Product Information

• Purity: 95%