ethyl-[4-[[(Z)-4-[4-(ethylazaniumyl)butylazaniumyl]but-2-enyl]azaniumyl]butyl]azanium tetrachloride

C16H40Cl4N4 — CID 10622520

IUPACethyl-[4-[[(Z)-4-[4-(ethylazaniumyl)butylazaniumyl]but-2-enyl]azaniumyl]butyl]azanium tetrachloride
SMILESCC[NH2+]CCCC[NH2+]C/C=C\C[NH2+]CCCC[NH2+]CC.[Cl-].[Cl-].[Cl-].[Cl-]
InChIInChI=1S/C16H36N4.4ClH/c1-3-17-11-5-7-13-19-15-9-10-16-20-14-8-6-12-18-4-2;;;;/h9-10,17-20H,3-8,11-16H2,1-2H3;4*1H/b10-9-;;;;
InChIKeyUNGJKTMQHCMGLS-HKIWRJGFSA-N
MW430.34 g/mol
LogP-14.59
Rot. Bonds16

About ethyl-[4-[[(Z)-4-[4-(ethylazaniumyl)butylazaniumyl]but-2-enyl]azaniumyl]butyl]azanium tetrachloride

ethyl-[4-[[(Z)-4-[4-(ethylazaniumyl)butylazaniumyl]but-2-enyl]azaniumyl]butyl]azanium tetrachloride (PubChem CID 10622520) has the molecular formula C16H40Cl4N4 and a molecular weight of 430.34 g/mol. Its IUPAC name is ethyl-[4-[[(Z)-4-[4-(ethylazaniumyl)butylazaniumyl]but-2-enyl]azaniumyl]butyl]azanium tetrachloride.

Molecular Properties

Compound Nameethyl-[4-[[(Z)-4-[4-(ethylazaniumyl)butylazaniumyl]but-2-enyl]azaniumyl]butyl]azanium tetrachloride
PubChem CID10622520
Molecular FormulaC16H40Cl4N4
Molecular Weight430.34 g/mol
Exact Mass428.20
IUPAC Nameethyl-[4-[[(Z)-4-[4-(ethylazaniumyl)butylazaniumyl]but-2-enyl]azaniumyl]butyl]azanium tetrachloride
SMILESCC[NH2+]CCCC[NH2+]C/C=C\C[NH2+]CCCC[NH2+]CC.[Cl-].[Cl-].[Cl-].[Cl-]
InChIInChI=1S/C16H36N4.4ClH/c1-3-17-11-5-7-13-19-15-9-10-16-20-14-8-6-12-18-4-2;;;;/h9-10,17-20H,3-8,11-16H2,1-2H3;4*1H/b10-9-;;;;
InChIKeyUNGJKTMQHCMGLS-HKIWRJGFSA-N
XLogP-14.59
TPSA66.44 Ų
H-Bond Donors4
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.34
LogP ≤ 5-14.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze ethyl-[4-[[(Z)-4-[4-(ethylazaniumyl)butylazaniumyl]but-2-enyl]azaniumyl]butyl]azanium tetrachloride with MolForge

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Related Compounds

ethyl-[4-[4-[[(Z)-4-[[(Z)-4-(ethylazaniumyl)but-2-enyl]azaniumyl]but-2-enyl]azaniumyl]butylazaniumyl]butyl]azanium pentachloride
CID 11800488
bis[4-[[(Z)-4-(ethylazaniumyl)but-2-enyl]azaniumyl]butyl]azanium pentachloride
CID 10792442
ethyl-[4-[4-[4-(ethylazaniumyl)butylazaniumyl]but-2-ynylazaniumyl]butyl]azanium tetrachloride
CID 10741171
ethyl(tridecyl)azanium iodide
CID 88651524
pentyl(prop-2-enyl)azanium chloride
CID 87130564
ethyl-[4-[[(1S,2S)-2-[[4-(ethylazaniumyl)butylazaniumyl]methyl]cyclopropyl]methylazaniumyl]butyl]azanium tetrachloride
CID 11797539
ethyl-[4-[[(1R,2R)-2-[[4-[[(1S,2S)-2-[[4-(ethylazaniumyl)butylazaniumyl]methyl]cyclopropyl]methylazaniumyl]butylazaniumyl]methyl]cyclopropyl]methylazaniumyl]butyl]azanium hexachloride
CID 10963442
ethyl-[4-[4-[4-[4-[[(1R,2R)-2-[[4-[4-[4-[4-(ethylazaniumyl)butylazaniumyl]butylazaniumyl]butylazaniumyl]butylazaniumyl]methyl]cyclopropyl]methylazaniumyl]butylazaniumyl]butylazaniumyl]butylazaniumyl]butyl]azanium decachloride
CID 10964207
butyl(tetradecyl)azanium chloride
CID 20788665
azanium;dioctadecylazanium;dichloride
CID 172767895
ethyl-[(2S)-3-[3-[[(2S)-3-(ethylazaniumyl)-2-hydroxypropyl]azaniumyl]propylazaniumyl]-2-hydroxypropyl]azanium tetrachloride
CID 10693501
diethylazanium;propane
CID 22646025

Frequently Asked Questions

What is the IUPAC name of ethyl-[4-[[(Z)-4-[4-(ethylazaniumyl)butylazaniumyl]but-2-enyl]azaniumyl]butyl]azanium tetrachloride?
The IUPAC name of ethyl-[4-[[(Z)-4-[4-(ethylazaniumyl)butylazaniumyl]but-2-enyl]azaniumyl]butyl]azanium tetrachloride (CID 10622520) is ethyl-[4-[[(Z)-4-[4-(ethylazaniumyl)butylazaniumyl]but-2-enyl]azaniumyl]butyl]azanium tetrachloride.
What is the SMILES notation for ethyl-[4-[[(Z)-4-[4-(ethylazaniumyl)butylazaniumyl]but-2-enyl]azaniumyl]butyl]azanium tetrachloride?
The canonical SMILES for ethyl-[4-[[(Z)-4-[4-(ethylazaniumyl)butylazaniumyl]but-2-enyl]azaniumyl]butyl]azanium tetrachloride is CC[NH2+]CCCC[NH2+]C/C=C\C[NH2+]CCCC[NH2+]CC.[Cl-].[Cl-].[Cl-].[Cl-].
What is the InChIKey of ethyl-[4-[[(Z)-4-[4-(ethylazaniumyl)butylazaniumyl]but-2-enyl]azaniumyl]butyl]azanium tetrachloride?
The InChIKey is UNGJKTMQHCMGLS-HKIWRJGFSA-N. The full InChI is InChI=1S/C16H36N4.4ClH/c1-3-17-11-5-7-13-19-15-9-10-16-20-14-8-6-12-18-4-2;;;;/h9-10,17-20H,3-8,11-16H2,1-2H3;4*1H/b10-9-;;;;.
What are the key properties of ethyl-[4-[[(Z)-4-[4-(ethylazaniumyl)butylazaniumyl]but-2-enyl]azaniumyl]butyl]azanium tetrachloride?
ethyl-[4-[[(Z)-4-[4-(ethylazaniumyl)butylazaniumyl]but-2-enyl]azaniumyl]butyl]azanium tetrachloride has a molecular weight of 430.34 g/mol, XLogP of -14.59, 16 rotatable bonds, 4 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[4-[[(Z)-4-[4-(ethylazaniumyl)butylazaniumyl]but-2-enyl]azaniumyl]butyl]azanium tetrachloride is sourced from PubChem (CID 10622520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).