chempirical

Tpen

C26H28N6CAS 16858-02-9424.55 g/mol

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Tertiary amine

Properties

Molecular formula
C26H28N6
Molar mass
424.55 g/mol
Exact mass
424.2375 Da
Melting point
110.5–111 °C
logP
3.97Crippen estimate
Polar surface area
58.0 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
11

Identifiers

CAS number
16858-02-9
SMILES
c1ccc(CN(CCN(Cc2ccccn2)Cc2ccccn2)Cc2ccccn2)nc1
InChIKey
CVRXLMUYFMERMJ-UHFFFAOYSA-N
InChI
InChI=1S/C26H28N6/c1-5-13-27-23(9-1)19-31(20-24-10-2-6-14-28-24)17-18-32(21-25-11-3-7-15-29-25)22-26-12-4-8-16-30-26/h1-16H,17-22H2

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Names and synonyms

8 names
  • 1,2-Ethanediamine, N,N,N′,N′-tetrakis(2-pyridinylmethyl)-
  • Pyridine, 2,2′,2′′,2′′′-[ethylenebis(nitrilodimethylene)]tetra-
  • N,N,N′,N′-Tetrakis(2-pyridinylmethyl)-1,2-ethanediamine
  • N,N,N′,N′-Tetrakis(2-pyridylmethyl)-1,2-ethanediamine
  • N,N,N′,N′-Tetrakis(2-pyridylmethyl)ethylenediamine
  • N,N,N′,N′-Tetrakis(pyridin-2-yl-methyl)ethylenediamine
  • TPEDA
  • N,N,N′,N′-Tetra[(2-pyridyl)methyl] ethylenediamine

Work with Tpen

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Ethylpyridine100-71-050 % similar Dipicolylamine1539-42-050 % similar 2-Pyridinemethanethiol2044-73-750 % similar 2-Picolylamine3731-51-950 % similar 2-Chloromethylpyridine4377-33-750 % similar 2-Pyridinemethanol586-98-150 % similar 2-(Phenylmethyl)pyridine101-82-648 % similar 2-Pyridineethanol103-74-247 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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