MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

Feedback

(3R,5S)-3,5-dimethyl-1-adamantanamine

	Properties	Image
MNX_ID	MNXM157791
reference	chebi:94797
formula	C₁₂H₂₁N
global charge	0
mol weight	179.307
InChIKey	BUGYDGFZZOZRHP-WSVSKBAQSA-N
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?
SMILES	C[C@]12CC3CC(N)(C1)C[C@@](C)(C3)C2

MNX internals

InChI (mnx)	InChI=1/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?
SMILES (mnx)	[CH3:1][C@:10]12[CH2:3][CH:9]3[CH2:4][C@:11]([CH3:2])([CH2:6]1)[CH2:8][C:12]([NH2:13])([CH2:5]3)[CH2:7]2

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:94797 chebi:94797 BUGYDGFZZOZRHP-WSVSKBAQSA-N	(3R,5S)-3,5-dimethyl-1-adamantanamine
seed.compound:cpd09565 seedM:cpd09565 kegg.compound:C13736 keggC:C13736 BUGYDGFZZOZRHP-UHFFFAOYSA-N BUGYDGFZZOZRHP-UHFFFAOYSA-O	Memantine
kegg.drug:D08174 keggD:D08174 BUGYDGFZZOZRHP-UHFFFAOYSA-N	Memantine (INN) Exiba (TN)
hmdb:HMDB0015177 BUGYDGFZZOZRHP-UHFFFAOYSA-N	Memantine 1,3-Dimethyl-5-adamantanamine 1,3-Dimethyl-5-aminoadamantane 1-Amino-3,5-dimethyladamantane 3,5-Dimethyl-1-adamantanamine 3,5-Dimethyl-1-aminoadamantane 3,5-Dimethyltricyclo(3.3.1.1(3,7))decan-1-amine 3,5-dimethyladamantan-1-amine Axura Ebixa Exiba Lundbeck brand OF memantine hydrochloride Memantin Memantina Memantine hydrochloride Memantinum Merz brand OF memantine hydrochloride Namenda memantine
CHEBI:64312 chebi:64312 BUGYDGFZZOZRHP-UHFFFAOYSA-N	memantine 1,3-Dimethyl-5-adamantanamine 1-Amino-3,5-dimethyladamantane 3,5-Dimethyl-1-adamantanamine 3,5-Dimethyl-1-aminoadamantane 3,5-Dimethyltricyclo(3.3.1.1(3,7))decan-1-amine 3,5-dimethyladamantan-1-amine memantina memantinum
CHEBI:64325 chebi:64325 BUGYDGFZZOZRHP-UHFFFAOYSA-O	memantinium(1+) 3,5-dimethyladamantan-1-aminium memantine cation memantine(1+) memantinium cation
hmdb:HMDB15177 chebi:34832 keggC:M_C13736 keggD:M_D08174 seedM:M_cpd09565	secondary/obsolete/fantasy identifier