N-butyl-2,2,6,6-tetramethylpiperidin-4-amine

• ChemBase ID: 264129
• Molecular Formular: C13H28N2
• Molecular Mass: 212.37482
• Monoisotopic Mass: 212.22524891
• SMILES: N1C(CC(CC1(C)C)NCCCC)(C)C
• Canonical SMILES: CCCCNC1CC(C)(C)NC(C1)(C)C
• InChI: InChI=1S/C13H28N2/c1-6-7-8-14-11-9-12(2,3)15-13(4,5)10-11/h11,14-15H,6-10H2,1-5H3
• InChIKey: FDAKZQLBIFPGSV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-butyl-2,2,6,6-tetramethylpiperidin-4-amine
• IUPAC Traditional name: N-butyl-2,2,6,6-tetramethylpiperidin-4-amine
• Synonyms: N-butyl-2,2,6,6-tetramethylpiperidin-4-amine

Database IDs

• MDL Number: MFCD00236393
• PubChem SID: 164320039
• PubChem CID: 118285

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.9628832
• LogD (pH = 7.4): -2.2081041
• Log P: 2.1690822
• Molar Refractivity: 66.8374 cm^3
• Polarizability: 27.04461 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.757

Product Information

• Purity: 95%