(3S)-1-tert-butylpyrrolidin-3-amine

• ChemBase ID: 815578
• Molecular Formular: C8H18N2
• Molecular Mass: 142.24192
• Monoisotopic Mass: 142.14699859
• SMILES: N1(C[C@H](CC1)N)C(C)(C)C
• Canonical SMILES: N[C@H]1CCN(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/t7-/m0/s1
• InChIKey: UTEZMBDWXGWOQJ-ZETCQYMHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3S)-1-tert-butylpyrrolidin-3-amine
• IUPAC Traditional name: (3S)-1-tert-butylpyrrolidin-3-amine
• Synonyms: (S)-1-tert-butylpyrrolidin-3-amine

Database IDs

• CAS Number: 348165-30-0

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
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%