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

C41H102Cl10N10 — CID 10964207

IUPACethyl-[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
SMILESCC[NH2+]CCCC[NH2+]CCCC[NH2+]CCCC[NH2+]CCCC[NH2+]C[C@@H]1C[C@H]1C[NH2+]CCCC[NH2+]CCCC[NH2+]CCCC[NH2+]CCCC[NH2+]CC.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-]
InChIInChI=1S/C41H92N10.10ClH/c1-3-42-21-5-7-23-44-25-9-11-27-46-29-13-15-31-48-33-17-19-35-50-38-40-37-41(40)39-51-36-20-18-34-49-32-16-14-30-47-28-12-10-26-45-24-8-6-22-43-4-2;;;;;;;;;;/h40-51H,3-39H2,1-2H3;10*1H/t40-,41-;;;;;;;;;;/m0........../s1
InChIKeyQVNAVIQFLWQIFT-WTIQREJTSA-N
MW1089.87 g/mol
LogP-36.42
Rot. Bonds46

About 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

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 (PubChem CID 10964207) has the molecular formula C41H102Cl10N10 and a molecular weight of 1089.87 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nameethyl-[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
PubChem CID10964207
Molecular FormulaC41H102Cl10N10
Molecular Weight1089.87 g/mol
Exact Mass1084.52
IUPAC Nameethyl-[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
SMILESCC[NH2+]CCCC[NH2+]CCCC[NH2+]CCCC[NH2+]CCCC[NH2+]C[C@@H]1C[C@H]1C[NH2+]CCCC[NH2+]CCCC[NH2+]CCCC[NH2+]CCCC[NH2+]CC.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-]
InChIInChI=1S/C41H92N10.10ClH/c1-3-42-21-5-7-23-44-25-9-11-27-46-29-13-15-31-48-33-17-19-35-50-38-40-37-41(40)39-51-36-20-18-34-49-32-16-14-30-47-28-12-10-26-45-24-8-6-22-43-4-2;;;;;;;;;;/h40-51H,3-39H2,1-2H3;10*1H/t40-,41-;;;;;;;;;;/m0........../s1
InChIKeyQVNAVIQFLWQIFT-WTIQREJTSA-N
XLogP-36.42
TPSA166.10 Ų
H-Bond Donors10
H-Bond Acceptors
Rotatable Bonds46
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001089.87
LogP ≤ 5-36.42
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 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 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-[[(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-[[(Z)-4-[[(Z)-4-(ethylazaniumyl)but-2-enyl]azaniumyl]but-2-enyl]azaniumyl]butylazaniumyl]butyl]azanium pentachloride
CID 11800488
ethyl-[4-[[(Z)-4-[4-(ethylazaniumyl)butylazaniumyl]but-2-enyl]azaniumyl]butyl]azanium tetrachloride
CID 10622520
ethyl(tridecyl)azanium iodide
CID 88651524
butyl(tetradecyl)azanium chloride
CID 20788665
butyl(dodecyl)azanium
CID 91941247
didodecylazanium fluoride
CID 87135434
azanide;carbanide;bis(chloroplatinum(1+));3-(ethylazaniumyl)propylazanide;3-(propylazaniumyl)propylazanide
CID 159930479
dioctadecylazanium tetrafluoroborate
CID 140565722
2-azaniumylethyl(ethyl)azanium dibromide
CID 160800492
dibutylazanium hexafluorophosphate
CID 23620950

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC[NH2+]CCCC[NH2+]CCCC[NH2+]CCCC[NH2+]CCCC[NH2+]C[C@@H]1C[C@H]1C[NH2+]CCCC[NH2+]CCCC[NH2+]CCCC[NH2+]CCCC[NH2+]CC.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].
What is the InChIKey of 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?
The InChIKey is QVNAVIQFLWQIFT-WTIQREJTSA-N. The full InChI is InChI=1S/C41H92N10.10ClH/c1-3-42-21-5-7-23-44-25-9-11-27-46-29-13-15-31-48-33-17-19-35-50-38-40-37-41(40)39-51-36-20-18-34-49-32-16-14-30-47-28-12-10-26-45-24-8-6-22-43-4-2;;;;;;;;;;/h40-51H,3-39H2,1-2H3;10*1H/t40-,41-;;;;;;;;;;/m0........../s1.
What are the key properties of 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?
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 has a molecular weight of 1089.87 g/mol, XLogP of -36.42, 46 rotatable bonds, 10 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 10964207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).