amino-(2-aminoethyl)-[amino(2-iodoethyl)amino]oxy-hydrazinyloxyazanium

C4H17IN7O2+ — CID 163686303

IUPACamino-(2-aminoethyl)-[amino(2-iodoethyl)amino]oxy-hydrazinyloxyazanium
SMILESNCC[N+](N)(ONN)ON(N)CCI
InChIInChI=1S/C4H17IN7O2/c5-1-3-11(8)14-12(9,4-2-6)13-10-7/h10H,1-4,6-9H2/q+1
InChIKeyYVCNDJHVWWJVBS-UHFFFAOYSA-N
MW322.13 g/mol
LogP-2.60
Rot. Bonds8

About amino-(2-aminoethyl)-[amino(2-iodoethyl)amino]oxy-hydrazinyloxyazanium

amino-(2-aminoethyl)-[amino(2-iodoethyl)amino]oxy-hydrazinyloxyazanium (PubChem CID 163686303) has the molecular formula C4H17IN7O2+ and a molecular weight of 322.13 g/mol. Its IUPAC name is amino-(2-aminoethyl)-[amino(2-iodoethyl)amino]oxy-hydrazinyloxyazanium.

Molecular Properties

Compound Nameamino-(2-aminoethyl)-[amino(2-iodoethyl)amino]oxy-hydrazinyloxyazanium
PubChem CID163686303
Molecular FormulaC4H17IN7O2+
Molecular Weight322.13 g/mol
Exact Mass322.05
IUPAC Nameamino-(2-aminoethyl)-[amino(2-iodoethyl)amino]oxy-hydrazinyloxyazanium
SMILESNCC[N+](N)(ONN)ON(N)CCI
InChIInChI=1S/C4H17IN7O2/c5-1-3-11(8)14-12(9,4-2-6)13-10-7/h10H,1-4,6-9H2/q+1
InChIKeyYVCNDJHVWWJVBS-UHFFFAOYSA-N
XLogP-2.60
TPSA137.81 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.13
LogP ≤ 5-2.60
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of amino-(2-aminoethyl)-[amino(2-iodoethyl)amino]oxy-hydrazinyloxyazanium?
The IUPAC name of amino-(2-aminoethyl)-[amino(2-iodoethyl)amino]oxy-hydrazinyloxyazanium (CID 163686303) is amino-(2-aminoethyl)-[amino(2-iodoethyl)amino]oxy-hydrazinyloxyazanium.
What is the SMILES notation for amino-(2-aminoethyl)-[amino(2-iodoethyl)amino]oxy-hydrazinyloxyazanium?
The canonical SMILES for amino-(2-aminoethyl)-[amino(2-iodoethyl)amino]oxy-hydrazinyloxyazanium is NCC[N+](N)(ONN)ON(N)CCI.
What is the InChIKey of amino-(2-aminoethyl)-[amino(2-iodoethyl)amino]oxy-hydrazinyloxyazanium?
The InChIKey is YVCNDJHVWWJVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H17IN7O2/c5-1-3-11(8)14-12(9,4-2-6)13-10-7/h10H,1-4,6-9H2/q+1.
What are the key properties of amino-(2-aminoethyl)-[amino(2-iodoethyl)amino]oxy-hydrazinyloxyazanium?
amino-(2-aminoethyl)-[amino(2-iodoethyl)amino]oxy-hydrazinyloxyazanium has a molecular weight of 322.13 g/mol, XLogP of -2.60, 8 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for amino-(2-aminoethyl)-[amino(2-iodoethyl)amino]oxy-hydrazinyloxyazanium is sourced from PubChem (CID 163686303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).