15,15'-(Butane-1,4-diyl)bis(7,15-diazadispiro[5.1.5~8~.3~6~]hexadecane)
Basic information
- CAS
53816-35-6- Standard SMILES
C1CCC2(CC1)CN(CCCCN1CC3(CCCCC3)NC3(CCCCC3)C1)CC1(CCCCC1)N2- InChIKey
MZISUAFZEDTBKW-UHFFFAOYSA-N- Molecular formula
- C32H58N4
- Average molar mass
- 498.8 g/mol
- Monoisotopic mass
- 498.46614787
Names & identifiers
- Preferred name
- 15,15'-(Butane-1,4-diyl)bis(7,15-diazadispiro[5.1.5~8~.3~6~]hexadecane)
- IUPAC
- 15-[4-(7,15-diazadispiro[5.1.58.36]hexadecan-15-yl)butyl]-7,15-diazadispiro[5.1.58.36]hexadecane
Names & synonyms
53816-35-6SCHEMBL11705845DTXSID7061421415,15'-(Butane-1,4-diyl)bis(7,15-diazadispiro[5.1.5~8~.3~6~]hexadecane)
Database identifiers
- CAS
53816-35-6- PubChem CID
- 21454744
- DTXSID
DTXSID70614214
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 30.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 583
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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