heptylazanium iodide

C7H18IN — CID 22222681

IUPACheptylazanium iodide
SMILESCCCCCCC[NH3+].[I-]
InChIInChI=1S/C7H17N.HI/c1-2-3-4-5-6-7-8;/h2-8H2,1H3;1H
InChIKeyAIZAPEVSJDVQLA-UHFFFAOYSA-N
MW243.13 g/mol
LogP-1.80
Rot. Bonds5

About heptylazanium iodide

heptylazanium iodide (PubChem CID 22222681) has the molecular formula C7H18IN and a molecular weight of 243.13 g/mol. Its IUPAC name is heptylazanium iodide.

Molecular Properties

Compound Nameheptylazanium iodide
PubChem CID22222681
Molecular FormulaC7H18IN
Molecular Weight243.13 g/mol
Exact Mass243.05
IUPAC Nameheptylazanium iodide
SMILESCCCCCCC[NH3+].[I-]
InChIInChI=1S/C7H17N.HI/c1-2-3-4-5-6-7-8;/h2-8H2,1H3;1H
InChIKeyAIZAPEVSJDVQLA-UHFFFAOYSA-N
XLogP-1.80
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.13
LogP ≤ 5-1.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of heptylazanium iodide?
The IUPAC name of heptylazanium iodide (CID 22222681) is heptylazanium iodide.
What is the SMILES notation for heptylazanium iodide?
The canonical SMILES for heptylazanium iodide is CCCCCCC[NH3+].[I-].
What is the InChIKey of heptylazanium iodide?
The InChIKey is AIZAPEVSJDVQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N.HI/c1-2-3-4-5-6-7-8;/h2-8H2,1H3;1H.
What are the key properties of heptylazanium iodide?
heptylazanium iodide has a molecular weight of 243.13 g/mol, XLogP of -1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for heptylazanium iodide is sourced from PubChem (CID 22222681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).