bis(diaminomethylideneazanium) diiodate

C2H12I2N6O6 — CID 139046601

IUPACbis(diaminomethylideneazanium) diiodate
SMILESNC(N)=[NH2+].NC(N)=[NH2+].[O-][I+2]([O-])[O-].[O-][I+2]([O-])[O-]
InChIInChI=1S/2CH5N3.2IO3/c4*2-1(3)4/h2*(H5,2,3,4);;/q;;2*-1/p+2
InChIKeyKIASJDDBSNTVRB-UHFFFAOYSA-P
MW469.96 g/mol
LogP-19.09
Rot. Bonds

About bis(diaminomethylideneazanium) diiodate

bis(diaminomethylideneazanium) diiodate (PubChem CID 139046601) has the molecular formula C2H12I2N6O6 and a molecular weight of 469.96 g/mol. Its IUPAC name is bis(diaminomethylideneazanium) diiodate.

Molecular Properties

Compound Namebis(diaminomethylideneazanium) diiodate
PubChem CID139046601
Molecular FormulaC2H12I2N6O6
Molecular Weight469.96 g/mol
Exact Mass469.89
IUPAC Namebis(diaminomethylideneazanium) diiodate
SMILESNC(N)=[NH2+].NC(N)=[NH2+].[O-][I+2]([O-])[O-].[O-][I+2]([O-])[O-]
InChIInChI=1S/2CH5N3.2IO3/c4*2-1(3)4/h2*(H5,2,3,4);;/q;;2*-1/p+2
InChIKeyKIASJDDBSNTVRB-UHFFFAOYSA-P
XLogP-19.09
TPSA293.62 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.96
LogP ≤ 5-19.09
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze bis(diaminomethylideneazanium) diiodate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(diaminomethylideneazanium) diiodate?
The IUPAC name of bis(diaminomethylideneazanium) diiodate (CID 139046601) is bis(diaminomethylideneazanium) diiodate.
What is the SMILES notation for bis(diaminomethylideneazanium) diiodate?
The canonical SMILES for bis(diaminomethylideneazanium) diiodate is NC(N)=[NH2+].NC(N)=[NH2+].[O-][I+2]([O-])[O-].[O-][I+2]([O-])[O-].
What is the InChIKey of bis(diaminomethylideneazanium) diiodate?
The InChIKey is KIASJDDBSNTVRB-UHFFFAOYSA-P. The full InChI is InChI=1S/2CH5N3.2IO3/c4*2-1(3)4/h2*(H5,2,3,4);;/q;;2*-1/p+2.
What are the key properties of bis(diaminomethylideneazanium) diiodate?
bis(diaminomethylideneazanium) diiodate has a molecular weight of 469.96 g/mol, XLogP of -19.09, 0 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(diaminomethylideneazanium) diiodate is sourced from PubChem (CID 139046601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).