diaminoiodanium

H4IN2+ — CID 22005934

IUPACdiaminoiodanium
SMILESN[I+]N
InChIInChI=1S/H4IN2/c2-1-3/h2-3H2/q+1
InChIKeyQJZORTWRRDMEJE-UHFFFAOYSA-N
MW158.95 g/mol
LogP-4.18
Rot. Bonds

About diaminoiodanium

diaminoiodanium (PubChem CID 22005934) has the molecular formula H4IN2+ and a molecular weight of 158.95 g/mol. Its IUPAC name is diaminoiodanium.

Molecular Properties

Compound Namediaminoiodanium
PubChem CID22005934
Molecular FormulaH4IN2+
Molecular Weight158.95 g/mol
Exact Mass158.94
IUPAC Namediaminoiodanium
SMILESN[I+]N
InChIInChI=1S/H4IN2/c2-1-3/h2-3H2/q+1
InChIKeyQJZORTWRRDMEJE-UHFFFAOYSA-N
XLogP-4.18
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.95
LogP ≤ 5-4.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

cycloheptane-1,2,3,4,5,6,7-heptamine
CID 59073254
cyclobutane-1,2,3,4-tetramine;tetrahydrobromide
CID 12509581
(1,2,3-13C3)cyclopropanamine
CID 76972988
sulfane
CID 175671036
(1S,2R,4S,5S)-3,6-diaminocyclohexane-1,2,4,5-tetrol
CID 130935032
cyclopropanamine;hydrochloride;hydrofluoride
CID 174873111
cyclohexane-1,4-diamine;hydrochloride
CID 54599176
[(1R,2R)-2-aminocyclopropyl]azanium
CID 86306440
3-iminocyclopropane-1,2-diamine
CID 54023414
2-fluorocyclopropan-1-amine
CID 10197614
trans-(1R,2R)-2-methylcyclopropan-1-amine
CID 12953691
(1R,2R,3S,4R)-5-aminocyclopentane-1,2,3,4-tetrol
CID 42628065

Frequently Asked Questions

What is the IUPAC name of diaminoiodanium?
The IUPAC name of diaminoiodanium (CID 22005934) is diaminoiodanium.
What is the SMILES notation for diaminoiodanium?
The canonical SMILES for diaminoiodanium is N[I+]N.
What is the InChIKey of diaminoiodanium?
The InChIKey is QJZORTWRRDMEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/H4IN2/c2-1-3/h2-3H2/q+1.
What are the key properties of diaminoiodanium?
diaminoiodanium has a molecular weight of 158.95 g/mol, XLogP of -4.18, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diaminoiodanium is sourced from PubChem (CID 22005934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).