1-tert-butylpyrrolidin-3-amine

• ChemBase ID: 309772
• Molecular Formular: C8H18N2
• Molecular Mass: 142.24192
• Monoisotopic Mass: 142.14699859
• SMILES: N1(C(C)(C)C)CC(CC1)N
• Canonical SMILES: NC1CCN(C1)C(C)(C)C
• InChI: InChI=1S/C8H18N2/c1-8(2,3)10-5-4-7(9)6-10/h7H,4-6,9H2,1-3H3
• InChIKey: UTEZMBDWXGWOQJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-tert-butylpyrrolidin-3-amine
• IUPAC Traditional name: 1-tert-butylpyrrolidin-3-amine
• Synonyms: 1-tert-butyl-3-pyrrolidinamine

Database IDs

• MDL Number: MFCD11640606

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.7929163
• LogD (pH = 7.4): -2.7265441
• Log P: 0.39534718
• Molar Refractivity: 44.3101 cm^3
• Polarizability: 17.811394 Å^3
• Polar Surface Area: 29.26 Å^2