1,8-Diamidinooctane
Basic information
- CAS
5578-81-4- Standard SMILES
N=C(N)CCCCCCCCC(=N)N- InChIKey
ICPKZJZCIILKLV-UHFFFAOYSA-N- Molecular formula
- C10H22N4
- Average molar mass
- 198.31 g/mol
- Monoisotopic mass
- 198.18444672
Names & identifiers
- Preferred name
- 1,8-Diamidinooctane
- IUPAC
- decanediimidamide
- English name
- 1,8-Diamidinooctane
- Molecular formula
- C10H22N4
- Molecular weight
- 198.31
Names & synonyms
5578-81-41,8-DIAMIDINOOCTANEdecanediimidamideCHEMBL102800SCHEMBL111544431,7-diimino-1,7-decanediamineDTXSID70330265BDBM50032497AKOS006295195
Database identifiers
- CAS
5578-81-4- PubChem CID
- 428405
- DTXSID
DTXSID70330265- ChEMBL
CHEMBL102800
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 99.7 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 157
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Compound notes
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