2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethylimino-iminoazanium

C8H17BrN3O3+ — CID 126956686

IUPAC2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethylimino-iminoazanium
SMILESN=[N+]=NCCOCCOCCOCCBr
InChIInChI=1S/C8H17BrN3O3/c9-1-3-13-5-7-15-8-6-14-4-2-11-12-10/h10H,1-8H2/q+1
InChIKeyBZBHLVKWLOILHE-UHFFFAOYSA-N
MW283.15 g/mol
LogP0.98
Rot. Bonds11

About 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethylimino-iminoazanium

2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethylimino-iminoazanium (PubChem CID 126956686) has the molecular formula C8H17BrN3O3+ and a molecular weight of 283.15 g/mol. Its IUPAC name is 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethylimino-iminoazanium.

Molecular Properties

Compound Name2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethylimino-iminoazanium
PubChem CID126956686
Molecular FormulaC8H17BrN3O3+
Molecular Weight283.15 g/mol
Exact Mass282.04
IUPAC Name2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethylimino-iminoazanium
SMILESN=[N+]=NCCOCCOCCOCCBr
InChIInChI=1S/C8H17BrN3O3/c9-1-3-13-5-7-15-8-6-14-4-2-11-12-10/h10H,1-8H2/q+1
InChIKeyBZBHLVKWLOILHE-UHFFFAOYSA-N
XLogP0.98
TPSA78.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.15
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethylimino-iminoazanium?
The IUPAC name of 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethylimino-iminoazanium (CID 126956686) is 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethylimino-iminoazanium.
What is the SMILES notation for 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethylimino-iminoazanium?
The canonical SMILES for 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethylimino-iminoazanium is N=[N+]=NCCOCCOCCOCCBr.
What is the InChIKey of 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethylimino-iminoazanium?
The InChIKey is BZBHLVKWLOILHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17BrN3O3/c9-1-3-13-5-7-15-8-6-14-4-2-11-12-10/h10H,1-8H2/q+1.
What are the key properties of 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethylimino-iminoazanium?
2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethylimino-iminoazanium has a molecular weight of 283.15 g/mol, XLogP of 0.98, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethylimino-iminoazanium is sourced from PubChem (CID 126956686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).