trimethyl(4-methylpent-4-en-2-ynyl)azanium iodide

C9H16IN — CID 13214283

IUPACtrimethyl(4-methylpent-4-en-2-ynyl)azanium iodide
SMILESC=C(C)C#CC[N+](C)(C)C.[I-]
InChIInChI=1S/C9H16N.HI/c1-9(2)7-6-8-10(3,4)5;/h1,8H2,2-5H3;1H/q+1;/p-1
InChIKeyYOYHMGDCZDIEKD-UHFFFAOYSA-M
MW265.14 g/mol
LogP-1.72
Rot. Bonds1

About trimethyl(4-methylpent-4-en-2-ynyl)azanium iodide

trimethyl(4-methylpent-4-en-2-ynyl)azanium iodide (PubChem CID 13214283) has the molecular formula C9H16IN and a molecular weight of 265.14 g/mol. Its IUPAC name is trimethyl(4-methylpent-4-en-2-ynyl)azanium iodide.

Molecular Properties

Compound Nametrimethyl(4-methylpent-4-en-2-ynyl)azanium iodide
PubChem CID13214283
Molecular FormulaC9H16IN
Molecular Weight265.14 g/mol
Exact Mass265.03
IUPAC Nametrimethyl(4-methylpent-4-en-2-ynyl)azanium iodide
SMILESC=C(C)C#CC[N+](C)(C)C.[I-]
InChIInChI=1S/C9H16N.HI/c1-9(2)7-6-8-10(3,4)5;/h1,8H2,2-5H3;1H/q+1;/p-1
InChIKeyYOYHMGDCZDIEKD-UHFFFAOYSA-M
XLogP-1.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.14
LogP ≤ 5-1.72
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'}

Analyze trimethyl(4-methylpent-4-en-2-ynyl)azanium iodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trimethyl(4-methylpent-4-en-2-ynyl)azanium iodide?
The IUPAC name of trimethyl(4-methylpent-4-en-2-ynyl)azanium iodide (CID 13214283) is trimethyl(4-methylpent-4-en-2-ynyl)azanium iodide.
What is the SMILES notation for trimethyl(4-methylpent-4-en-2-ynyl)azanium iodide?
The canonical SMILES for trimethyl(4-methylpent-4-en-2-ynyl)azanium iodide is C=C(C)C#CC[N+](C)(C)C.[I-].
What is the InChIKey of trimethyl(4-methylpent-4-en-2-ynyl)azanium iodide?
The InChIKey is YOYHMGDCZDIEKD-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H16N.HI/c1-9(2)7-6-8-10(3,4)5;/h1,8H2,2-5H3;1H/q+1;/p-1.
What are the key properties of trimethyl(4-methylpent-4-en-2-ynyl)azanium iodide?
trimethyl(4-methylpent-4-en-2-ynyl)azanium iodide has a molecular weight of 265.14 g/mol, XLogP of -1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(4-methylpent-4-en-2-ynyl)azanium iodide is sourced from PubChem (CID 13214283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).