RIM

RIMANTADINE

Created:2007-07-19
Last modified:  2021-03-01

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Chemical Details

Formal Charge0
Atom Count34
Chiral Atom Count1
Bond Count36
Aromatic Bond Count0
2D diagram of RIM

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Chemical Component Summary

NameRIMANTADINE
Synonyms1-(1-ADAMANTYL)ETHANAMINE
Systematic Name (OpenEye OEToolkits)(1R)-1-(1-adamantyl)ethanamine
FormulaC12 H21 N
Molecular Weight179.302
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04NC(C)C13CC2CC(CC(C1)C2)C3
SMILESCACTVS3.341C[CH](N)C12CC3CC(CC(C3)C1)C2
SMILESOpenEye OEToolkits1.5.0CC(C12CC3CC(C1)CC(C3)C2)N
Canonical SMILESCACTVS3.341 C[C@@H](N)C12CC3CC(CC(C3)C1)C2
Canonical SMILESOpenEye OEToolkits1.5.0 C[C@H](C12CC3CC(C1)CC(C3)C2)N
InChIInChI1.03 InChI=1S/C12H21N/c1-8(13)12-5-9-2-10(6-12)4-11(3-9)7-12/h8-11H,2-7,13H2,1H3/t8-,9-,10+,11-,12-/m1/s1
InChIKeyInChI1.03 UBCHPRBFMUDMNC-RMPHRYRLSA-N

Related Resource References

Resource NameReference
CCDC/CSD TOKWUN