azane;nonahydroiodide

H255I9N82 — CID 173439449

IUPACazane;nonahydroiodide
SMILESI.I.I.I.I.I.I.I.I.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N
InChIInChI=1S/9HI.82H3N/h9*1H;82*1H3
InChIKeyZKSYOYJQYXRBDW-UHFFFAOYSA-N
MW2547.75 g/mol
LogP18.85
Rot. Bonds

About azane;nonahydroiodide

azane;nonahydroiodide (PubChem CID 173439449) has the molecular formula H255I9N82 and a molecular weight of 2547.75 g/mol. Its IUPAC name is azane;nonahydroiodide.

Molecular Properties

Compound Nameazane;nonahydroiodide
PubChem CID173439449
Molecular FormulaH255I9N82
Molecular Weight2547.75 g/mol
Exact Mass2547.39
IUPAC Nameazane;nonahydroiodide
SMILESI.I.I.I.I.I.I.I.I.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N
InChIInChI=1S/9HI.82H3N/h9*1H;82*1H3
InChIKeyZKSYOYJQYXRBDW-UHFFFAOYSA-N
XLogP18.85
TPSA2870.00 Ų
H-Bond Donors82
H-Bond Acceptors82
Rotatable Bonds
Heavy Atoms91
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002547.75
LogP ≤ 518.85
H-Bond Donors ≤ 582
H-Bond Acceptors ≤ 1082

Computed Properties (RDKit)

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

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Related Compounds

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CID 162270499
azane;iron;hydroiodide
CID 175329429
azane
CID 22000749
iodane
CID 158832479
λ1-polane
CID 146691324
azane;hydrazine;hydroiodide
CID 174205577
azane;bromosilver;hydroiodide
CID 162035070
azane;methane;tritium monohydride;tetrahydrofluoride;hydroiodide
CID 159084807
azane;tetrahydrate
CID 172794729
azane;titanium
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CID 173359728
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CID 139274260

Frequently Asked Questions

What is the IUPAC name of azane;nonahydroiodide?
The IUPAC name of azane;nonahydroiodide (CID 173439449) is azane;nonahydroiodide.
What is the SMILES notation for azane;nonahydroiodide?
The canonical SMILES for azane;nonahydroiodide is I.I.I.I.I.I.I.I.I.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.
What is the InChIKey of azane;nonahydroiodide?
The InChIKey is ZKSYOYJQYXRBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/9HI.82H3N/h9*1H;82*1H3.
What are the key properties of azane;nonahydroiodide?
azane;nonahydroiodide has a molecular weight of 2547.75 g/mol, XLogP of 18.85, 0 rotatable bonds, 82 hydrogen bond donors, and 82 hydrogen bond acceptors.
Where does this data come from?
All data for azane;nonahydroiodide is sourced from PubChem (CID 173439449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).