dimethyl-(2-methylprop-2-enyl)-prop-2-ynylazanium iodide

C9H16IN — CID 44658499

IUPACdimethyl-(2-methylprop-2-enyl)-prop-2-ynylazanium iodide
SMILESC#CC[N+](C)(C)CC(=C)C.[I-]
InChIInChI=1S/C9H16N.HI/c1-6-7-10(4,5)8-9(2)3;/h1H,2,7-8H2,3-5H3;1H/q+1;/p-1
InChIKeyFPGNSYCQCUCURF-UHFFFAOYSA-M
MW265.14 g/mol
LogP-1.72
Rot. Bonds3

About dimethyl-(2-methylprop-2-enyl)-prop-2-ynylazanium iodide

dimethyl-(2-methylprop-2-enyl)-prop-2-ynylazanium iodide (PubChem CID 44658499) has the molecular formula C9H16IN and a molecular weight of 265.14 g/mol. Its IUPAC name is dimethyl-(2-methylprop-2-enyl)-prop-2-ynylazanium iodide.

Molecular Properties

Compound Namedimethyl-(2-methylprop-2-enyl)-prop-2-ynylazanium iodide
PubChem CID44658499
Molecular FormulaC9H16IN
Molecular Weight265.14 g/mol
Exact Mass265.03
IUPAC Namedimethyl-(2-methylprop-2-enyl)-prop-2-ynylazanium iodide
SMILESC#CC[N+](C)(C)CC(=C)C.[I-]
InChIInChI=1S/C9H16N.HI/c1-6-7-10(4,5)8-9(2)3;/h1H,2,7-8H2,3-5H3;1H/q+1;/p-1
InChIKeyFPGNSYCQCUCURF-UHFFFAOYSA-M
XLogP-1.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
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': 'isolated_alkene', '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 dimethyl-(2-methylprop-2-enyl)-prop-2-ynylazanium iodide?
The IUPAC name of dimethyl-(2-methylprop-2-enyl)-prop-2-ynylazanium iodide (CID 44658499) is dimethyl-(2-methylprop-2-enyl)-prop-2-ynylazanium iodide.
What is the SMILES notation for dimethyl-(2-methylprop-2-enyl)-prop-2-ynylazanium iodide?
The canonical SMILES for dimethyl-(2-methylprop-2-enyl)-prop-2-ynylazanium iodide is C#CC[N+](C)(C)CC(=C)C.[I-].
What is the InChIKey of dimethyl-(2-methylprop-2-enyl)-prop-2-ynylazanium iodide?
The InChIKey is FPGNSYCQCUCURF-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H16N.HI/c1-6-7-10(4,5)8-9(2)3;/h1H,2,7-8H2,3-5H3;1H/q+1;/p-1.
What are the key properties of dimethyl-(2-methylprop-2-enyl)-prop-2-ynylazanium iodide?
dimethyl-(2-methylprop-2-enyl)-prop-2-ynylazanium iodide has a molecular weight of 265.14 g/mol, XLogP of -1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(2-methylprop-2-enyl)-prop-2-ynylazanium iodide is sourced from PubChem (CID 44658499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).