1-N,2-N-dimethoxy-1-N,2-N-dioxidobenzene-1,2-diamine

C8H10N2O4-2 — CID 163652520

IUPAC1-N,2-N-dimethoxy-1-N,2-N-dioxidobenzene-1,2-diamine
SMILESCON([O-])c1ccccc1N([O-])OC
InChIInChI=1S/C8H10N2O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h3-6H,1-2H3/q-2
InChIKeyNJXDMGLYGXWLNY-UHFFFAOYSA-N
MW198.18 g/mol
LogP1.42
Rot. Bonds4

About 1-N,2-N-dimethoxy-1-N,2-N-dioxidobenzene-1,2-diamine

1-N,2-N-dimethoxy-1-N,2-N-dioxidobenzene-1,2-diamine (PubChem CID 163652520) has the molecular formula C8H10N2O4-2 and a molecular weight of 198.18 g/mol. Its IUPAC name is 1-N,2-N-dimethoxy-1-N,2-N-dioxidobenzene-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N-dimethoxy-1-N,2-N-dioxidobenzene-1,2-diamine
PubChem CID163652520
Molecular FormulaC8H10N2O4-2
Molecular Weight198.18 g/mol
Exact Mass198.07
IUPAC Name1-N,2-N-dimethoxy-1-N,2-N-dioxidobenzene-1,2-diamine
SMILESCON([O-])c1ccccc1N([O-])OC
InChIInChI=1S/C8H10N2O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h3-6H,1-2H3/q-2
InChIKeyNJXDMGLYGXWLNY-UHFFFAOYSA-N
XLogP1.42
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-N,N-dimethoxyaniline
CID 165177896
N-(2-chlorophenyl)-N-methoxynitramide
CID 90776138
2-N-(2-aminophenyl)-2-N-methylbenzene-1,2-diamine
CID 86253618
N-methoxy-N-(2-methylphenyl)acetamide
CID 14936359
N-iodo-2-methoxy-N-methylaniline
CID 153134478
N-(2-methoxypropan-2-yl)-N-oxidoaniline
CID 163944848
methoxymethane;naphthalene
CID 90827145
2-[2-[hydroxy(oxido)amino]phenyl]-3-methoxybut-2-enenitrile
CID 163180848
N-iodo-N-methoxyaniline
CID 142027982
2-bromo-N-ethyl-N-oxidoaniline
CID 163570782
methyl 2-[chloro(methoxy)amino]benzoate
CID 153305529
(2-methylphenyl)-oxidocarbamic acid
CID 131721115

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-dimethoxy-1-N,2-N-dioxidobenzene-1,2-diamine?
The IUPAC name of 1-N,2-N-dimethoxy-1-N,2-N-dioxidobenzene-1,2-diamine (CID 163652520) is 1-N,2-N-dimethoxy-1-N,2-N-dioxidobenzene-1,2-diamine.
What is the SMILES notation for 1-N,2-N-dimethoxy-1-N,2-N-dioxidobenzene-1,2-diamine?
The canonical SMILES for 1-N,2-N-dimethoxy-1-N,2-N-dioxidobenzene-1,2-diamine is CON([O-])c1ccccc1N([O-])OC.
What is the InChIKey of 1-N,2-N-dimethoxy-1-N,2-N-dioxidobenzene-1,2-diamine?
The InChIKey is NJXDMGLYGXWLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h3-6H,1-2H3/q-2.
What are the key properties of 1-N,2-N-dimethoxy-1-N,2-N-dioxidobenzene-1,2-diamine?
1-N,2-N-dimethoxy-1-N,2-N-dioxidobenzene-1,2-diamine has a molecular weight of 198.18 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-dimethoxy-1-N,2-N-dioxidobenzene-1,2-diamine is sourced from PubChem (CID 163652520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).