(2,2,3,3-tetramethylcyclopropyl)methanamine

• ChemBase ID: 310082
• Molecular Formular: C8H17N
• Molecular Mass: 127.22728
• Monoisotopic Mass: 127.13609955
• SMILES: C1(C(C1CN)(C)C)(C)C
• Canonical SMILES: NCC1C(C1(C)C)(C)C
• InChI: InChI=1S/C8H17N/c1-7(2)6(5-9)8(7,3)4/h6H,5,9H2,1-4H3
• InChIKey: BXXKXEVHAQMPKM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,2,3,3-tetramethylcyclopropyl)methanamine
• IUPAC Traditional name: (2,2,3,3-tetramethylcyclopropyl)methanamine
• Synonyms: 1-(2,2,3,3-tetramethylcyclopropyl)methanamine

Database IDs

• CAS Number: 67358-15-0
• MDL Number: MFCD19216308

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.6943506
• LogD (pH = 7.4): -1.2634597
• Log P: 1.3292508
• Molar Refractivity: 39.9082 cm^3
• Polarizability: 16.292534 Å^3
• Polar Surface Area: 26.02 Å^2