ethyl-[6-[ethyl(dimethyl)azaniumyl]hex-3-ynyl]-dimethylazanium diiodide

C14H30I2N2 — CID 24838716

IUPACethyl-[6-[ethyl(dimethyl)azaniumyl]hex-3-ynyl]-dimethylazanium diiodide
SMILESCC[N+](C)(C)CCC#CCC[N+](C)(C)CC.[I-].[I-]
InChIInChI=1S/C14H30N2.2HI/c1-7-15(3,4)13-11-9-10-12-14-16(5,6)8-2;;/h7-8,11-14H2,1-6H3;2*1H/q+2;;/p-2
InChIKeyBWJUMZIUWSQZPN-UHFFFAOYSA-L
MW480.22 g/mol
LogP-4.03
Rot. Bonds6

About ethyl-[6-[ethyl(dimethyl)azaniumyl]hex-3-ynyl]-dimethylazanium diiodide

ethyl-[6-[ethyl(dimethyl)azaniumyl]hex-3-ynyl]-dimethylazanium diiodide (PubChem CID 24838716) has the molecular formula C14H30I2N2 and a molecular weight of 480.22 g/mol. Its IUPAC name is ethyl-[6-[ethyl(dimethyl)azaniumyl]hex-3-ynyl]-dimethylazanium diiodide.

Molecular Properties

Compound Nameethyl-[6-[ethyl(dimethyl)azaniumyl]hex-3-ynyl]-dimethylazanium diiodide
PubChem CID24838716
Molecular FormulaC14H30I2N2
Molecular Weight480.22 g/mol
Exact Mass480.05
IUPAC Nameethyl-[6-[ethyl(dimethyl)azaniumyl]hex-3-ynyl]-dimethylazanium diiodide
SMILESCC[N+](C)(C)CCC#CCC[N+](C)(C)CC.[I-].[I-]
InChIInChI=1S/C14H30N2.2HI/c1-7-15(3,4)13-11-9-10-12-14-16(5,6)8-2;;/h7-8,11-14H2,1-6H3;2*1H/q+2;;/p-2
InChIKeyBWJUMZIUWSQZPN-UHFFFAOYSA-L
XLogP-4.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.22
LogP ≤ 5-4.03
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 ethyl-[6-[ethyl(dimethyl)azaniumyl]hex-3-ynyl]-dimethylazanium diiodide with MolForge

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

Launch Full Analysis

Related Compounds

ethyl-[4-[ethyl(dimethyl)azaniumyl]butyl]-dimethylazanium
CID 25995
ethyl-[6-[2-[6-[2-[6-[2-[6-[2-[6-[ethyl(dimethyl)azaniumyl]hexyl-dimethylazaniumyl]ethyl-dimethylazaniumyl]hexyl-dimethylazaniumyl]ethyl-dimethylazaniumyl]hexyl-dimethylazaniumyl]ethyl-dimethylazaniumyl]hexyl-dimethylazaniumyl]ethyl-dimethylazaniumyl]hexyl]-dimethylazanium
CID 101017980
ethyl-[2-[2-[ethyl(dimethyl)azaniumyl]ethylsulfanyl]ethyl]-dimethylazanium;dihydroiodide
CID 126958954
ethyl-dimethyl-[(trimethylazaniumyl)methyl]azanium
CID 18716516
ethyl-dimethyl-propylazanium hexafluorophosphate
CID 140620148
ethyl-dimethyl-(3-silylpropyl)azanium
CID 123718595
diethyl(dimethyl)azanium;bromide;hydrate
CID 174914404
dodecyl-ethyl-dimethylazanium;hydrate
CID 175307815
10-[diethyl(methyl)azaniumyl]deca-2,8-diynyl-diethyl-methylazanium
CID 24837342
2-bromoethyl-dibutyl-methylazanium iodide
CID 139956776
dimethyl(dioctadecyl)azanium;dodecyl-ethyl-dimethylazanium;dibromide
CID 175504473
2-cyanoethyl-diethyl-methylazanium iodide
CID 131863694

Frequently Asked Questions

What is the IUPAC name of ethyl-[6-[ethyl(dimethyl)azaniumyl]hex-3-ynyl]-dimethylazanium diiodide?
The IUPAC name of ethyl-[6-[ethyl(dimethyl)azaniumyl]hex-3-ynyl]-dimethylazanium diiodide (CID 24838716) is ethyl-[6-[ethyl(dimethyl)azaniumyl]hex-3-ynyl]-dimethylazanium diiodide.
What is the SMILES notation for ethyl-[6-[ethyl(dimethyl)azaniumyl]hex-3-ynyl]-dimethylazanium diiodide?
The canonical SMILES for ethyl-[6-[ethyl(dimethyl)azaniumyl]hex-3-ynyl]-dimethylazanium diiodide is CC[N+](C)(C)CCC#CCC[N+](C)(C)CC.[I-].[I-].
What is the InChIKey of ethyl-[6-[ethyl(dimethyl)azaniumyl]hex-3-ynyl]-dimethylazanium diiodide?
The InChIKey is BWJUMZIUWSQZPN-UHFFFAOYSA-L. The full InChI is InChI=1S/C14H30N2.2HI/c1-7-15(3,4)13-11-9-10-12-14-16(5,6)8-2;;/h7-8,11-14H2,1-6H3;2*1H/q+2;;/p-2.
What are the key properties of ethyl-[6-[ethyl(dimethyl)azaniumyl]hex-3-ynyl]-dimethylazanium diiodide?
ethyl-[6-[ethyl(dimethyl)azaniumyl]hex-3-ynyl]-dimethylazanium diiodide has a molecular weight of 480.22 g/mol, XLogP of -4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[6-[ethyl(dimethyl)azaniumyl]hex-3-ynyl]-dimethylazanium diiodide is sourced from PubChem (CID 24838716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).