1-cyclopropylcyclopropan-1-amine

• ChemBase ID: 284258
• Molecular Formular: C6H11N
• Molecular Mass: 97.15824
• Monoisotopic Mass: 97.08914936
• SMILES: C1(C2CC2)(CC1)N
• Canonical SMILES: NC1(CC1)C1CC1
• InChI: InChI=1S/C6H11N/c7-6(3-4-6)5-1-2-5/h5H,1-4,7H2
• InChIKey: RTSBJFZXDBBUSI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopropylcyclopropan-1-amine
• IUPAC Traditional name: 1-cyclopropylcyclopropan-1-amine
• Synonyms: 1-cyclopropylcyclopropan-1-amine; 1,1'-bi(cyclopropyl)-1-amine

Database IDs

• CAS Number: 882489-65-8
• MDL Number: MFCD10686557
• PubChem SID: 180669789
• PubChem CID: 28064676

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.481757
• LogD (pH = 7.4): -2.1322215
• Log P: 0.54445165
• Molar Refractivity: 28.9616 cm^3
• Polarizability: 11.859141 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.563

Product Information

• Purity: 95%