1-propylcyclopropan-1-amine

• ChemBase ID: 307685
• Molecular Formular: C6H13N
• Molecular Mass: 99.17412
• Monoisotopic Mass: 99.10479942
• SMILES: C1(CC1)(N)CCC
• Canonical SMILES: CCCC1(N)CC1
• InChI: InChI=1S/C6H13N/c1-2-3-6(7)4-5-6/h2-5,7H2,1H3
• InChIKey: ZADCUMFVTUWSAW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-propylcyclopropan-1-amine
• IUPAC Traditional name: 1-propylcyclopropan-1-amine
• Synonyms: (1-propylcyclopropyl)amine

Database IDs

• CAS Number: 1174526-64-7
• MDL Number: MFCD09971202

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.937944
• LogD (pH = 7.4): -1.5718247
• Log P: 1.0877734
• Molar Refractivity: 30.8932 cm^3
• Polarizability: 12.598926 Å^3
• Polar Surface Area: 26.02 Å^2