(1-tert-butylpyrrolidin-3-yl)methanamine

• ChemBase ID: 307961
• Molecular Formular: C9H20N2
• Molecular Mass: 156.2685
• Monoisotopic Mass: 156.16264865
• SMILES: N1(C(C)(C)C)CC(CC1)CN
• Canonical SMILES: NCC1CCN(C1)C(C)(C)C
• InChI: InChI=1S/C9H20N2/c1-9(2,3)11-5-4-8(6-10)7-11/h8H,4-7,10H2,1-3H3
• InChIKey: VEEMPJFRZBKMQS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-tert-butylpyrrolidin-3-yl)methanamine
• IUPAC Traditional name: (1-tert-butylpyrrolidin-3-yl)methanamine
• Synonyms: 1-(1-tert-butyl-3-pyrrolidinyl)methanamine

Database IDs

• CAS Number: 1017474-41-7
• MDL Number: MFCD09937656

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.4858503
• LogD (pH = 7.4): -3.5872927
• Log P: 0.5128957
• Molar Refractivity: 49.2937 cm^3
• Polarizability: 19.657892 Å^3
• Polar Surface Area: 29.26 Å^2