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
Topological Polar Surface Area	43.1
Hydrogen Bond Donor Count	1.0
Heavy Atom Count	17.0
Isotope Atom Count	0.0
Molecular Complexity	258.0
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Iupac Name	2-(5-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine oxide
Nih Violation	False
Prediction Hob	1.0
Xlogp	1.0
Is Pains	False
Molecular Formula	C13H18N2O2
Prediction Swissadme	1.0
Inchi Key	AVIICGUHIIDHRN-UHFFFAOYSA-N
Fcsp3	0.3846153846153846
Rotatable Bond Count	4.0
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
Brenk Violation	True
Monoisotopic Mass	234.137
Hydrogen Bond Acceptor Count	2.0
Molecular Weight	234.29
Covalent Unit Count	1.0
Total Atom Stereocenter Count	0.0
Total Bond Stereocenter Count	0.0
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-]
Defined Bond Stereocenter Count	0.0

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10. Outgoing r'ship FOUND_IN to/from Desmodium Gangeticum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all; Reference:
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34. Outgoing r'ship FOUND_IN to/from Saussurea Costus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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55. 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 55

Plant Connections 55