Basic information
- CAS
37764-44-6- Standard SMILES
NC(CSSCC(N)=NCC12CC3CC(CC(C3)C1)C2)=NCC12CC3CC(CC(C3)C1)C2- InChIKey
OULNLBKZTPZSEI-UHFFFAOYSA-N- Molecular formula
- C26H42N4S2
- Average molar mass
- 474.8 g/mol
- Monoisotopic mass
- 474.2850897
Names & identifiers
- Preferred name
- N'-(1-adamantylmethyl)-2-[[2-(1-adamantylmethylimino)-2-aminoethyl]disulfanyl]ethanimidamide
- IUPAC
- N'-(1-adamantylmethyl)-2-[[2-(1-adamantylmethylimino)-2-aminoethyl]disulfanyl]ethanimidamide
Names & synonyms
N-(1-adamantylmethyl)-2-[[2-(1-adamantylmethylamino)-2-imino-ethyl]disulfanyl]acetamidineNSC19427137764-44-6CHEMBL2009224N'-(1-adamantylmethyl)-2-[[2-(1-adamantylmethylimino)-2-aminoethyl]disulfanyl]ethanimidamideEthanimidamide, 2,2'-dithiobis[N-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)-, (1E,1'Z)-
Database identifiers
- CAS
37764-44-6- PubChem CID
- 64320
- ChEMBL
CHEMBL2009224
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 629
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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