 Home > Encyclopedia > 2-[[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-5-(methylamino)cyclohexa-2,5-diene-1,4-dione

2-[[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-5-(methylamino)cyclohexa-2,5-diene-1,4-dione

2-[[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-5-(methylamino)cyclohexa-2,5-diene-1,4-dione structure

CAS No:
83995-05-5
Formula:
C22H31NO2
Chemical Name:
2-[[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-5-(methylamino)cyclohexa-2,5-diene-1,4-dione
Synonyms:
2,5-Cyclohexadiene-1,4-dione, 2-(methylamino)-5-(((1R)-1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl)methyl)-;2-(Methylamino)-5-(((1R)-1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalenyl)methyl)-1,4-benzoquinone;4'-(methylamino)avarone;2,5-Cyclohexadiene-1,4-dione, 2-(methylamino)-5-(((1R,2S,4aS,8aS)-1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl)methyl)-;83995-05-5;4'-(Methylamino)avarone;4'-Methylaminoavarone;4'-methylamino-avarone;CHEMBL514750;DTXSID90232878;2-[[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-5-(methylamino)cyclohexa-2,5-diene-1,4-dione;2,5-Cyclohexadiene-1,4-dione,3-(methylamino)-5-[(1,2,3,4,4a,7,8, 8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl)methyl] 4'-METHYLAMINO AVARONE

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2-[[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-5-(methylamino)cyclohexa-2,5-diene-1,4-dione Basic Attributes

Molecular Weight：

341.5 g/mol

Exact Mass：

341.235479232 g/mol

DSSTox ID：

DTXSID90232878

Characteristics

PSA：

46.2 Å²

Drug Information

MeSH Entry Terms：

2,5-Cyclohexadiene-1,4-dione, 2-(methylamino)-5-(((1R)-1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl)methyl)-

Computed Properties

Molecular Weight:341.5
XLogP3:5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:341.235479232
Monoisotopic Mass:341.235479232
Topological Polar Surface Area:46.2
Heavy Atom Count:25
Complexity:699
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-5-(methylamino)cyclohexa-2,5-diene-1,4-dione

Basic Attributes
Characteristics
Drug Information
Computed Properties

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