1,2-Ethanediamine, N1,N1a(2)-[[5-hexyl-6-(2-octen-1-yl)-3-cyclohexene-1,2-diyl]bis[7,1-heptanediyl(4,5-dihydro-1H-imidazole-2,1-diyl)-2,1-ethanediyl]]bis-
Basic information
- CAS
70179-82-7- Standard SMILES
CCCCCC=CCC1C(CCCCCC)C=CC(CCCCCCCC2=NCCN2CCNCCN)C1CCCCCCCC1=NCCN1CCNCCN- InChIKey
MXIIKUOLNATQQB-UHFFFAOYSA-N- Molecular formula
- C48H92N8
- Average molar mass
- 781.3 g/mol
- Monoisotopic mass
- 780.74449497
Names & identifiers
- Preferred name
- 1,2-Ethanediamine, N1,N1a(2)-[[5-hexyl-6-(2-octen-1-yl)-3-cyclohexene-1,2-diyl]bis[7,1-heptanediyl(4,5-dihydro-1H-imidazole-2,1-diyl)-2,1-ethanediyl]]bis-
- IUPAC
- N'-[2-[2-[7-[6-[7-[1-[2-(2-aminoethylamino)ethyl]-4,5-dihydroimidazol-2-yl]heptyl]-4-hexyl-5-oct-2-enylcyclohex-2-en-1-yl]heptyl]-4,5-dihydroimidazol-1-yl]ethyl]ethane-1,2-diamine
Names & synonyms
DTXSID5011002181,2-Ethanediamine, N1,N1a(2)-[[5-hexyl-6-(2-octen-1-yl)-3-cyclohexene-1,2-diyl]bis[7,1-heptanediyl(4,5-dihydro-1H-imidazole-2,1-diyl)-2,1-ethanediyl]]bis-
Database identifiers
- CAS
70179-82-7- PubChem CID
- 112197
- DTXSID
DTXSID501100218
Properties
Computed structural properties
- XLogP
- 9.7
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 37
- Heavy atoms
- 56
- Formal charge
- 0
- Complexity
- 1,060
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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