ethyl-[4-[4-[4-(ethylazaniumyl)butylazaniumyl]but-2-ynylazaniumyl]butyl]azanium tetrachloride

C16H38Cl4N4 — CID 10741171

IUPACethyl-[4-[4-[4-(ethylazaniumyl)butylazaniumyl]but-2-ynylazaniumyl]butyl]azanium tetrachloride
SMILESCC[NH2+]CCCC[NH2+]CC#CC[NH2+]CCCC[NH2+]CC.[Cl-].[Cl-].[Cl-].[Cl-]
InChIInChI=1S/C16H34N4.4ClH/c1-3-17-11-5-7-13-19-15-9-10-16-20-14-8-6-12-18-4-2;;;;/h17-20H,3-8,11-16H2,1-2H3;4*1H
InChIKeyBEXIZTAKQNSVHT-UHFFFAOYSA-N
MW428.32 g/mol
LogP-15.14
Rot. Bonds14

About ethyl-[4-[4-[4-(ethylazaniumyl)butylazaniumyl]but-2-ynylazaniumyl]butyl]azanium tetrachloride

ethyl-[4-[4-[4-(ethylazaniumyl)butylazaniumyl]but-2-ynylazaniumyl]butyl]azanium tetrachloride (PubChem CID 10741171) has the molecular formula C16H38Cl4N4 and a molecular weight of 428.32 g/mol. Its IUPAC name is ethyl-[4-[4-[4-(ethylazaniumyl)butylazaniumyl]but-2-ynylazaniumyl]butyl]azanium tetrachloride.

Molecular Properties

Compound Nameethyl-[4-[4-[4-(ethylazaniumyl)butylazaniumyl]but-2-ynylazaniumyl]butyl]azanium tetrachloride
PubChem CID10741171
Molecular FormulaC16H38Cl4N4
Molecular Weight428.32 g/mol
Exact Mass426.19
IUPAC Nameethyl-[4-[4-[4-(ethylazaniumyl)butylazaniumyl]but-2-ynylazaniumyl]butyl]azanium tetrachloride
SMILESCC[NH2+]CCCC[NH2+]CC#CC[NH2+]CCCC[NH2+]CC.[Cl-].[Cl-].[Cl-].[Cl-]
InChIInChI=1S/C16H34N4.4ClH/c1-3-17-11-5-7-13-19-15-9-10-16-20-14-8-6-12-18-4-2;;;;/h17-20H,3-8,11-16H2,1-2H3;4*1H
InChIKeyBEXIZTAKQNSVHT-UHFFFAOYSA-N
XLogP-15.14
TPSA66.44 Ų
H-Bond Donors4
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.32
LogP ≤ 5-15.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethyl-[4-[[(Z)-4-[4-(ethylazaniumyl)butylazaniumyl]but-2-enyl]azaniumyl]butyl]azanium tetrachloride
CID 10622520
ethyl(tridecyl)azanium iodide
CID 88651524
ethyl-[4-[4-[[(Z)-4-[[(Z)-4-(ethylazaniumyl)but-2-enyl]azaniumyl]but-2-enyl]azaniumyl]butylazaniumyl]butyl]azanium pentachloride
CID 11800488
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
bis[4-[[(Z)-4-(ethylazaniumyl)but-2-enyl]azaniumyl]butyl]azanium pentachloride
CID 10792442
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
didodecylazanium fluoride
CID 87135434

Frequently Asked Questions

What is the IUPAC name of ethyl-[4-[4-[4-(ethylazaniumyl)butylazaniumyl]but-2-ynylazaniumyl]butyl]azanium tetrachloride?
The IUPAC name of ethyl-[4-[4-[4-(ethylazaniumyl)butylazaniumyl]but-2-ynylazaniumyl]butyl]azanium tetrachloride (CID 10741171) is ethyl-[4-[4-[4-(ethylazaniumyl)butylazaniumyl]but-2-ynylazaniumyl]butyl]azanium tetrachloride.
What is the SMILES notation for ethyl-[4-[4-[4-(ethylazaniumyl)butylazaniumyl]but-2-ynylazaniumyl]butyl]azanium tetrachloride?
The canonical SMILES for ethyl-[4-[4-[4-(ethylazaniumyl)butylazaniumyl]but-2-ynylazaniumyl]butyl]azanium tetrachloride is CC[NH2+]CCCC[NH2+]CC#CC[NH2+]CCCC[NH2+]CC.[Cl-].[Cl-].[Cl-].[Cl-].
What is the InChIKey of ethyl-[4-[4-[4-(ethylazaniumyl)butylazaniumyl]but-2-ynylazaniumyl]butyl]azanium tetrachloride?
The InChIKey is BEXIZTAKQNSVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N4.4ClH/c1-3-17-11-5-7-13-19-15-9-10-16-20-14-8-6-12-18-4-2;;;;/h17-20H,3-8,11-16H2,1-2H3;4*1H.
What are the key properties of ethyl-[4-[4-[4-(ethylazaniumyl)butylazaniumyl]but-2-ynylazaniumyl]butyl]azanium tetrachloride?
ethyl-[4-[4-[4-(ethylazaniumyl)butylazaniumyl]but-2-ynylazaniumyl]butyl]azanium tetrachloride has a molecular weight of 428.32 g/mol, XLogP of -15.14, 14 rotatable bonds, 4 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[4-[4-[4-(ethylazaniumyl)butylazaniumyl]but-2-ynylazaniumyl]butyl]azanium tetrachloride is sourced from PubChem (CID 10741171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).