1-tert-butylcyclopropan-1-amine

• ChemBase ID: 309040
• Molecular Formular: C7H15N
• Molecular Mass: 113.2007
• Monoisotopic Mass: 113.12044949
• SMILES: C1(CC1)(C(C)(C)C)N
• Canonical SMILES: CC(C1(N)CC1)(C)C
• InChI: InChI=1S/C7H15N/c1-6(2,3)7(8)4-5-7/h4-5,8H2,1-3H3
• InChIKey: NCBGTDPAYKAHSZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-tert-butylcyclopropan-1-amine
• IUPAC Traditional name: 1-tert-butylcyclopropan-1-amine
• Synonyms: (1-tert-butylcyclopropyl)amine

Database IDs

• CAS Number: 882188-73-0
• MDL Number: MFCD16845492

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.6337488
• LogD (pH = 7.4): -1.1098773
• Log P: 1.3861784
• Molar Refractivity: 35.1619 cm^3
• Polarizability: 14.445701 Å^3
• Polar Surface Area: 26.02 Å^2