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

C20H48Cl5N5 — CID 11800488

IUPACethyl-[4-[4-[[(Z)-4-[[(Z)-4-(ethylazaniumyl)but-2-enyl]azaniumyl]but-2-enyl]azaniumyl]butylazaniumyl]butyl]azanium pentachloride
SMILESCC[NH2+]C/C=C\C[NH2+]C/C=C\C[NH2+]CCCC[NH2+]CCCC[NH2+]CC.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-]
InChIInChI=1S/C20H43N5.5ClH/c1-3-21-13-5-7-15-23-17-9-11-19-25-20-12-10-18-24-16-8-6-14-22-4-2;;;;;/h5,7,9,11,21-25H,3-4,6,8,10,12-20H2,1-2H3;5*1H/b7-5-,11-9-;;;;;
InChIKeyMUZRMQWPICEUSV-PLMGNEGPSA-N
MW535.90 g/mol
LogP-18.46
Rot. Bonds20

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

ethyl-[4-[4-[[(Z)-4-[[(Z)-4-(ethylazaniumyl)but-2-enyl]azaniumyl]but-2-enyl]azaniumyl]butylazaniumyl]butyl]azanium pentachloride (PubChem CID 11800488) has the molecular formula C20H48Cl5N5 and a molecular weight of 535.90 g/mol. Its IUPAC name is ethyl-[4-[4-[[(Z)-4-[[(Z)-4-(ethylazaniumyl)but-2-enyl]azaniumyl]but-2-enyl]azaniumyl]butylazaniumyl]butyl]azanium pentachloride.

Molecular Properties

Compound Nameethyl-[4-[4-[[(Z)-4-[[(Z)-4-(ethylazaniumyl)but-2-enyl]azaniumyl]but-2-enyl]azaniumyl]butylazaniumyl]butyl]azanium pentachloride
PubChem CID11800488
Molecular FormulaC20H48Cl5N5
Molecular Weight535.90 g/mol
Exact Mass533.24
IUPAC Nameethyl-[4-[4-[[(Z)-4-[[(Z)-4-(ethylazaniumyl)but-2-enyl]azaniumyl]but-2-enyl]azaniumyl]butylazaniumyl]butyl]azanium pentachloride
SMILESCC[NH2+]C/C=C\C[NH2+]C/C=C\C[NH2+]CCCC[NH2+]CCCC[NH2+]CC.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-]
InChIInChI=1S/C20H43N5.5ClH/c1-3-21-13-5-7-15-23-17-9-11-19-25-20-12-10-18-24-16-8-6-14-22-4-2;;;;;/h5,7,9,11,21-25H,3-4,6,8,10,12-20H2,1-2H3;5*1H/b7-5-,11-9-;;;;;
InChIKeyMUZRMQWPICEUSV-PLMGNEGPSA-N
XLogP-18.46
TPSA83.05 Ų
H-Bond Donors5
H-Bond Acceptors
Rotatable Bonds20
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.90
LogP ≤ 5-18.46
H-Bond Donors ≤ 55
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-[4-[[(Z)-4-[[(Z)-4-(ethylazaniumyl)but-2-enyl]azaniumyl]but-2-enyl]azaniumyl]butylazaniumyl]butyl]azanium pentachloride with MolForge

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Launch Full Analysis

Related Compounds

bis[4-[[(Z)-4-(ethylazaniumyl)but-2-enyl]azaniumyl]butyl]azanium pentachloride
CID 10792442
ethyl-[4-[[(Z)-4-[4-(ethylazaniumyl)butylazaniumyl]but-2-enyl]azaniumyl]butyl]azanium tetrachloride
CID 10622520
ethyl-[4-[4-[4-(ethylazaniumyl)butylazaniumyl]but-2-ynylazaniumyl]butyl]azanium tetrachloride
CID 10741171
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
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
butyl(tetradecyl)azanium chloride
CID 20788665
azanium;dioctadecylazanium;dichloride
CID 172767895
didodecylazanium fluoride
CID 87135434
butyl(dodecyl)azanium
CID 91941247

Frequently Asked Questions

What is the IUPAC name of ethyl-[4-[4-[[(Z)-4-[[(Z)-4-(ethylazaniumyl)but-2-enyl]azaniumyl]but-2-enyl]azaniumyl]butylazaniumyl]butyl]azanium pentachloride?
The IUPAC name of ethyl-[4-[4-[[(Z)-4-[[(Z)-4-(ethylazaniumyl)but-2-enyl]azaniumyl]but-2-enyl]azaniumyl]butylazaniumyl]butyl]azanium pentachloride (CID 11800488) is ethyl-[4-[4-[[(Z)-4-[[(Z)-4-(ethylazaniumyl)but-2-enyl]azaniumyl]but-2-enyl]azaniumyl]butylazaniumyl]butyl]azanium pentachloride.
What is the SMILES notation for ethyl-[4-[4-[[(Z)-4-[[(Z)-4-(ethylazaniumyl)but-2-enyl]azaniumyl]but-2-enyl]azaniumyl]butylazaniumyl]butyl]azanium pentachloride?
The canonical SMILES for ethyl-[4-[4-[[(Z)-4-[[(Z)-4-(ethylazaniumyl)but-2-enyl]azaniumyl]but-2-enyl]azaniumyl]butylazaniumyl]butyl]azanium pentachloride is CC[NH2+]C/C=C\C[NH2+]C/C=C\C[NH2+]CCCC[NH2+]CCCC[NH2+]CC.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].
What is the InChIKey of ethyl-[4-[4-[[(Z)-4-[[(Z)-4-(ethylazaniumyl)but-2-enyl]azaniumyl]but-2-enyl]azaniumyl]butylazaniumyl]butyl]azanium pentachloride?
The InChIKey is MUZRMQWPICEUSV-PLMGNEGPSA-N. The full InChI is InChI=1S/C20H43N5.5ClH/c1-3-21-13-5-7-15-23-17-9-11-19-25-20-12-10-18-24-16-8-6-14-22-4-2;;;;;/h5,7,9,11,21-25H,3-4,6,8,10,12-20H2,1-2H3;5*1H/b7-5-,11-9-;;;;;.
What are the key properties of ethyl-[4-[4-[[(Z)-4-[[(Z)-4-(ethylazaniumyl)but-2-enyl]azaniumyl]but-2-enyl]azaniumyl]butylazaniumyl]butyl]azanium pentachloride?
ethyl-[4-[4-[[(Z)-4-[[(Z)-4-(ethylazaniumyl)but-2-enyl]azaniumyl]but-2-enyl]azaniumyl]butylazaniumyl]butyl]azanium pentachloride has a molecular weight of 535.90 g/mol, XLogP of -18.46, 20 rotatable bonds, 5 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[4-[4-[[(Z)-4-[[(Z)-4-(ethylazaniumyl)but-2-enyl]azaniumyl]but-2-enyl]azaniumyl]butylazaniumyl]butyl]azanium pentachloride is sourced from PubChem (CID 11800488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).