2-(5-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine oxide

PubChem CID: 5319429

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Compound Synonyms	5-methoxy DMT N-oxide, 4006-02-4, 5-Methoxy-N,N-dimethyl-tryptamine Nb-oxide, SCHEMBL5041561, 2-(5-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine oxide, CHEBI:229023, 5-methoxy-n,n-dimethyltryptamine-n-oxide
Prediction Swissadme	1.0
Topological Polar Surface Area	43.1
Hydrogen Bond Donor Count	1.0
Inchi Key	AVIICGUHIIDHRN-UHFFFAOYSA-N
Fcsp3	0.3846153846153846
Rotatable Bond Count	4.0
Heavy Atom Count	17.0
Compound Name	2-(5-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine oxide
Prediction Hob Swissadme	1.0
Exact Mass	234.137
Formal Charge	0.0
Monoisotopic Mass	234.137
Isotope Atom Count	0.0
Molecular Complexity	258.0
Hydrogen Bond Acceptor Count	2.0
Molecular Weight	234.29
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Covalent Unit Count	1.0
Defined Atom Stereocenter Count	0.0
Iupac Name	2-(5-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine oxide
Total Atom Stereocenter Count	0.0
Total Bond Stereocenter Count	0.0
Prediction Hob	1.0
Esol	-2.529218505882353
Inchi	InChI=1S/C13H18N2O2/c1-15(2,16)7-6-10-9-14-13-5-4-11(17-3)8-12(10)13/h4-5,8-9,14H,6-7H2,1-3H3
Smiles	C[N+](C)(CCC1=CNC2=C1C=C(C=C2)OC)[O-]
Xlogp	1.0
Defined Bond Stereocenter Count	0.0
Molecular Formula	C13H18N2O2

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37. Outgoing r'ship FOUND_IN to/from Saussurea Costus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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58. Outgoing r'ship FOUND_IN to/from Saussurea Triangulata (Plant) Rel Props:Reference:

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2-(5-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine oxide

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Phytochemical Properties

Associated Connections 58

Plant Connections 58