(2,2-dimethylcyclopropyl)methanamine

• ChemBase ID: 308598
• Molecular Formular: C6H13N
• Molecular Mass: 99.17412
• Monoisotopic Mass: 99.10479942
• SMILES: C1(CC1CN)(C)C
• Canonical SMILES: NCC1CC1(C)C
• InChI: InChI=1S/C6H13N/c1-6(2)3-5(6)4-7/h5H,3-4,7H2,1-2H3
• InChIKey: FPMPHZAUZKHZNK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,2-dimethylcyclopropyl)methanamine
• IUPAC Traditional name: (2,2-dimethylcyclopropyl)methanamine
• Synonyms: 1-(2,2-dimethylcyclopropyl)methanamine

Database IDs

• CAS Number: 725743-45-3
• MDL Number: MFCD06212982

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.2817676
• LogD (pH = 7.4): -1.8609427
• Log P: 0.74218464
• Molar Refractivity: 30.8845 cm^3
• Polarizability: 12.598926 Å^3
• Polar Surface Area: 26.02 Å^2