but-3-ynyl(trimethyl)azanium iodide

C7H14IN — CID 10610016

IUPACbut-3-ynyl(trimethyl)azanium iodide
SMILESC#CCC[N+](C)(C)C.[I-]
InChIInChI=1S/C7H14N.HI/c1-5-6-7-8(2,3)4;/h1H,6-7H2,2-4H3;1H/q+1;/p-1
InChIKeyZSEWQNIDLCVUIZ-UHFFFAOYSA-M
MW239.10 g/mol
LogP-2.28
Rot. Bonds2

About but-3-ynyl(trimethyl)azanium iodide

but-3-ynyl(trimethyl)azanium iodide (PubChem CID 10610016) has the molecular formula C7H14IN and a molecular weight of 239.10 g/mol. Its IUPAC name is but-3-ynyl(trimethyl)azanium iodide.

Molecular Properties

Compound Namebut-3-ynyl(trimethyl)azanium iodide
PubChem CID10610016
Molecular FormulaC7H14IN
Molecular Weight239.10 g/mol
Exact Mass239.02
IUPAC Namebut-3-ynyl(trimethyl)azanium iodide
SMILESC#CCC[N+](C)(C)C.[I-]
InChIInChI=1S/C7H14N.HI/c1-5-6-7-8(2,3)4;/h1H,6-7H2,2-4H3;1H/q+1;/p-1
InChIKeyZSEWQNIDLCVUIZ-UHFFFAOYSA-M
XLogP-2.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.10
LogP ≤ 5-2.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of but-3-ynyl(trimethyl)azanium iodide?
The IUPAC name of but-3-ynyl(trimethyl)azanium iodide (CID 10610016) is but-3-ynyl(trimethyl)azanium iodide.
What is the SMILES notation for but-3-ynyl(trimethyl)azanium iodide?
The canonical SMILES for but-3-ynyl(trimethyl)azanium iodide is C#CCC[N+](C)(C)C.[I-].
What is the InChIKey of but-3-ynyl(trimethyl)azanium iodide?
The InChIKey is ZSEWQNIDLCVUIZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H14N.HI/c1-5-6-7-8(2,3)4;/h1H,6-7H2,2-4H3;1H/q+1;/p-1.
What are the key properties of but-3-ynyl(trimethyl)azanium iodide?
but-3-ynyl(trimethyl)azanium iodide has a molecular weight of 239.10 g/mol, XLogP of -2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-ynyl(trimethyl)azanium iodide is sourced from PubChem (CID 10610016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).