N-[2-(dimethylamino)pentyl]-2,2,6,6-tetramethylpiperidin-4-amine

• ChemBase ID: 825869
• Molecular Formular: C16H35N3
• Molecular Mass: 269.4692
• Monoisotopic Mass: 269.28309814
• SMILES: N1C(CC(CC1(C)C)NCC(N(C)C)CCC)(C)C
• Canonical SMILES: CCCC(N(C)C)CNC1CC(C)(C)NC(C1)(C)C
• InChI: InChI=1S/C16H35N3/c1-8-9-14(19(6)7)12-17-13-10-15(2,3)18-16(4,5)11-13/h13-14,17-18H,8-12H2,1-7H3
• InChIKey: CWXCBIFNMBGORV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(dimethylamino)pentyl]-2,2,6,6-tetramethylpiperidin-4-amine
• IUPAC Traditional name: N-[2-(dimethylamino)pentyl]-2,2,6,6-tetramethylpiperidin-4-amine
• Synonyms: N~2~,N~2~-dimethyl-N~1~-(2,2,6,6-tetramethylpiperidin-4-yl)pentane-1,2-diamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.94562
• LogD (pH = 7.4): -2.4411812
• Log P: 2.2474937
• Molar Refractivity: 84.5267 cm^3
• Polarizability: 34.103367 Å^3
• Polar Surface Area: 27.3 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 3.48
• LOG S: -3.13
• Polar Surface Area: 27.3 Å^2
• Rotatable Bonds: 6