trimethyl(3-methylbut-2-enyl)azanium iodide

C8H18IN — CID 13104311

IUPACtrimethyl(3-methylbut-2-enyl)azanium iodide
SMILESCC(C)=CC[N+](C)(C)C.[I-]
InChIInChI=1S/C8H18N.HI/c1-8(2)6-7-9(3,4)5;/h6H,7H2,1-5H3;1H/q+1;/p-1
InChIKeyCAIZAAYHQXTIGN-UHFFFAOYSA-M
MW255.14 g/mol
LogP-1.34
Rot. Bonds2

About trimethyl(3-methylbut-2-enyl)azanium iodide

trimethyl(3-methylbut-2-enyl)azanium iodide (PubChem CID 13104311) has the molecular formula C8H18IN and a molecular weight of 255.14 g/mol. Its IUPAC name is trimethyl(3-methylbut-2-enyl)azanium iodide.

Molecular Properties

Compound Nametrimethyl(3-methylbut-2-enyl)azanium iodide
PubChem CID13104311
Molecular FormulaC8H18IN
Molecular Weight255.14 g/mol
Exact Mass255.05
IUPAC Nametrimethyl(3-methylbut-2-enyl)azanium iodide
SMILESCC(C)=CC[N+](C)(C)C.[I-]
InChIInChI=1S/C8H18N.HI/c1-8(2)6-7-9(3,4)5;/h6H,7H2,1-5H3;1H/q+1;/p-1
InChIKeyCAIZAAYHQXTIGN-UHFFFAOYSA-M
XLogP-1.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.14
LogP ≤ 5-1.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl(3-methylbut-2-enyl)azanium iodide?
The IUPAC name of trimethyl(3-methylbut-2-enyl)azanium iodide (CID 13104311) is trimethyl(3-methylbut-2-enyl)azanium iodide.
What is the SMILES notation for trimethyl(3-methylbut-2-enyl)azanium iodide?
The canonical SMILES for trimethyl(3-methylbut-2-enyl)azanium iodide is CC(C)=CC[N+](C)(C)C.[I-].
What is the InChIKey of trimethyl(3-methylbut-2-enyl)azanium iodide?
The InChIKey is CAIZAAYHQXTIGN-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H18N.HI/c1-8(2)6-7-9(3,4)5;/h6H,7H2,1-5H3;1H/q+1;/p-1.
What are the key properties of trimethyl(3-methylbut-2-enyl)azanium iodide?
trimethyl(3-methylbut-2-enyl)azanium iodide has a molecular weight of 255.14 g/mol, XLogP of -1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(3-methylbut-2-enyl)azanium iodide is sourced from PubChem (CID 13104311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).