[(1,1,1,2,2,4,4,5,5,5-2H10)pentan-3-yl]bis(propan-2-yl)amine

• ChemBase ID: 167920
• Molecular Formular: C11H25N
• Molecular Mass: 171.3229
• Monoisotopic Mass: 171.19869981
• SMILES: C(N(C(C)C)C(CC)CC)(C)C
• Canonical SMILES: CCC(N(C(C)C)C(C)C)CC
• InChI: InChI=1S/C11H25N/c1-7-11(8-2)12(9(3)4)10(5)6/h9-11H,7-8H2,1-6H3
• InChIKey: BDKMTSFYPWEJRE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(1,1,1,2,2,4,4,5,5,5-^2H₁₀)pentan-3-yl]bis(propan-2-yl)amine
• IUPAC Traditional name: diisopropyl(1,1,1,2,2,4,4,5,5,5-^2H₁₀)pentan-3-ylamine
• Synonyms: N,N-Bis(1-methylethyl-d10)-3-pentanamine; 1-Ethyl-N,N-diisopropylpropylamine-d10; N,N-Diisopropylpentan-3-amine-d10; N,N-Diisopropyl-3-pentylamine-d10

Database IDs

• PubChem SID: 162262053
• PubChem CID: 71316291

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.055579893
• LogD (pH = 7.4): 0.16624108
• Log P: 3.5553632
• Molar Refractivity: 56.5383 cm^3
• Polarizability: 22.57728 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - D459352

Labelled N,N-Diisopropyl-3-pentylamine (D459350). Extremely hindered tertiary amine.

REFERENCES

• Burdick, J., et al.: Biomaterials, 22, 1779 (2001)
• Liu, V., et al.: Biomed. Microdev., 4, 257 (2001)