CHEBI:94797 - (3R,5S)-3,5-dimethyl-1-adamantanamine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (3R,5S)-3,5-dimethyl-1-adamantanamine
ChEBI ID CHEBI:94797
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C12H21N
Net Charge 0
Average Mass 179.302
Monoisotopic Mass 179.16740
InChI InChI=1S/C12H21N/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8,13H2,1-2H3/t9?,10-,11+,12?
InChIKey BUGYDGFZZOZRHP-WSVSKBAQSA-N
SMILES C[C@]12CC3CC(C1)(C[C@@](C3)(C2)C)N
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (3R,5S)-3,5-dimethyl-1-adamantanamine (CHEBI:94797) is a alkylamine (CHEBI:13759)
Manual Xref Database
LSM-5966 LINCS
View more database links