2-N,3-N-dimethyl-2-N,3-N-dioxidobicyclo[2.2.2]octa-1(6),4,7-triene-2,3-diamine

C10H12N2O2-2 — CID 163519179

IUPAC2-N,3-N-dimethyl-2-N,3-N-dioxidobicyclo[2.2.2]octa-1(6),4,7-triene-2,3-diamine
SMILESCN([O-])C1c2ccc(cc2)C1N(C)[O-]
InChIInChI=1S/C10H12N2O2/c1-11(13)9-7-3-5-8(6-4-7)10(9)12(2)14/h3-6,9-10H,1-2H3/q-2
InChIKeyJSPIRHQCJKUQQX-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.64
Rot. Bonds2

About 2-N,3-N-dimethyl-2-N,3-N-dioxidobicyclo[2.2.2]octa-1(6),4,7-triene-2,3-diamine

2-N,3-N-dimethyl-2-N,3-N-dioxidobicyclo[2.2.2]octa-1(6),4,7-triene-2,3-diamine (PubChem CID 163519179) has the molecular formula C10H12N2O2-2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 2-N,3-N-dimethyl-2-N,3-N-dioxidobicyclo[2.2.2]octa-1(6),4,7-triene-2,3-diamine.

Molecular Properties

Compound Name2-N,3-N-dimethyl-2-N,3-N-dioxidobicyclo[2.2.2]octa-1(6),4,7-triene-2,3-diamine
PubChem CID163519179
Molecular FormulaC10H12N2O2-2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name2-N,3-N-dimethyl-2-N,3-N-dioxidobicyclo[2.2.2]octa-1(6),4,7-triene-2,3-diamine
SMILESCN([O-])C1c2ccc(cc2)C1N(C)[O-]
InChIInChI=1S/C10H12N2O2/c1-11(13)9-7-3-5-8(6-4-7)10(9)12(2)14/h3-6,9-10H,1-2H3/q-2
InChIKeyJSPIRHQCJKUQQX-UHFFFAOYSA-N
XLogP1.64
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N,3-N-dimethyl-2-N,3-N-dioxidobicyclo[2.2.2]octa-1(6),4,7-triene-2,3-diamine?
The IUPAC name of 2-N,3-N-dimethyl-2-N,3-N-dioxidobicyclo[2.2.2]octa-1(6),4,7-triene-2,3-diamine (CID 163519179) is 2-N,3-N-dimethyl-2-N,3-N-dioxidobicyclo[2.2.2]octa-1(6),4,7-triene-2,3-diamine.
What is the SMILES notation for 2-N,3-N-dimethyl-2-N,3-N-dioxidobicyclo[2.2.2]octa-1(6),4,7-triene-2,3-diamine?
The canonical SMILES for 2-N,3-N-dimethyl-2-N,3-N-dioxidobicyclo[2.2.2]octa-1(6),4,7-triene-2,3-diamine is CN([O-])C1c2ccc(cc2)C1N(C)[O-].
What is the InChIKey of 2-N,3-N-dimethyl-2-N,3-N-dioxidobicyclo[2.2.2]octa-1(6),4,7-triene-2,3-diamine?
The InChIKey is JSPIRHQCJKUQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-11(13)9-7-3-5-8(6-4-7)10(9)12(2)14/h3-6,9-10H,1-2H3/q-2.
What are the key properties of 2-N,3-N-dimethyl-2-N,3-N-dioxidobicyclo[2.2.2]octa-1(6),4,7-triene-2,3-diamine?
2-N,3-N-dimethyl-2-N,3-N-dioxidobicyclo[2.2.2]octa-1(6),4,7-triene-2,3-diamine has a molecular weight of 192.22 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-N-dimethyl-2-N,3-N-dioxidobicyclo[2.2.2]octa-1(6),4,7-triene-2,3-diamine is sourced from PubChem (CID 163519179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).