diamino-(iodomethylamino)-methylazanium

C2H10IN4+ — CID 163536274

IUPACdiamino-(iodomethylamino)-methylazanium
SMILESC[N+](N)(N)NCI
InChIInChI=1S/C2H10IN4/c1-7(4,5)6-2-3/h6H,2,4-5H2,1H3/q+1
InChIKeyJOOWRGQDPCRKJH-UHFFFAOYSA-N
MW217.03 g/mol
LogP-0.92
Rot. Bonds2

About diamino-(iodomethylamino)-methylazanium

diamino-(iodomethylamino)-methylazanium (PubChem CID 163536274) has the molecular formula C2H10IN4+ and a molecular weight of 217.03 g/mol. Its IUPAC name is diamino-(iodomethylamino)-methylazanium.

Molecular Properties

Compound Namediamino-(iodomethylamino)-methylazanium
PubChem CID163536274
Molecular FormulaC2H10IN4+
Molecular Weight217.03 g/mol
Exact Mass216.99
IUPAC Namediamino-(iodomethylamino)-methylazanium
SMILESC[N+](N)(N)NCI
InChIInChI=1S/C2H10IN4/c1-7(4,5)6-2-3/h6H,2,4-5H2,1H3/q+1
InChIKeyJOOWRGQDPCRKJH-UHFFFAOYSA-N
XLogP-0.92
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.03
LogP ≤ 5-0.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze diamino-(iodomethylamino)-methylazanium 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 diamino-(iodomethylamino)-methylazanium?
The IUPAC name of diamino-(iodomethylamino)-methylazanium (CID 163536274) is diamino-(iodomethylamino)-methylazanium.
What is the SMILES notation for diamino-(iodomethylamino)-methylazanium?
The canonical SMILES for diamino-(iodomethylamino)-methylazanium is C[N+](N)(N)NCI.
What is the InChIKey of diamino-(iodomethylamino)-methylazanium?
The InChIKey is JOOWRGQDPCRKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H10IN4/c1-7(4,5)6-2-3/h6H,2,4-5H2,1H3/q+1.
What are the key properties of diamino-(iodomethylamino)-methylazanium?
diamino-(iodomethylamino)-methylazanium has a molecular weight of 217.03 g/mol, XLogP of -0.92, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diamino-(iodomethylamino)-methylazanium is sourced from PubChem (CID 163536274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).