Basic information
- CAS
67026-55-5- Standard SMILES
N#CNC(=NC12CC3CC(CC(C3)C1)C2)Nc1ccncc1- InChIKey
AVPRLSXFVYWIMX-UHFFFAOYSA-N- Molecular formula
- C17H21N5
- Average molar mass
- 295.4 g/mol
- Monoisotopic mass
- 295.17969569
Names & identifiers
- Preferred name
- Guanidine, 1-adamantyl-2-cyano-3-(4-pyridyl)-
- IUPAC
- 2-(1-adamantyl)-1-cyano-3-pyridin-4-ylguanidine
Names & synonyms
Guanidine, 1-adamantyl-2-cyano-3-(4-pyridyl)-67026-55-5BRN 04320731-Adamantyl-2-cyano-3-(4-pyridyl)guanidineDTXSID50217262Guanidine, N-cyano-N'-4-pyridinyl-N''-tricyclo(3.3.1.1(sup 3,7))dec-1-yl-NSC 315860RefChem:346874DTXCID50139753NSC315860CHEMBL315553CHEMBL3278073
Show more names
NSC-315860N''-(Adamantan-1-yl)-N-cyano-N'-(pyridin-4-yl)guanidine
Database identifiers
- CAS
67026-55-5- PubChem CID
- 64467
- DTXSID
DTXSID50217262- ChEMBL
CHEMBL315553、CHEMBL3278073
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 73.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 455
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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