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

C62H146N10+10 — CID 101017980

IUPACethyl-[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
SMILESCC[N+](C)(C)CCCCCC[N+](C)(C)CC[N+](C)(C)CCCCCC[N+](C)(C)CC[N+](C)(C)CCCCCC[N+](C)(C)CC[N+](C)(C)CCCCCC[N+](C)(C)CC[N+](C)(C)CCCCCC[N+](C)(C)CC
InChIInChI=1S/C62H146N10/c1-23-63(3,4)45-35-25-27-37-47-65(7,8)55-57-67(11,12)49-39-29-31-41-51-69(15,16)59-61-71(19,20)53-43-33-34-44-54-72(21,22)62-60-70(17,18)52-42-32-30-40-50-68(13,14)58-56-66(9,10)48-38-28-26-36-46-64(5,6)24-2/h23-62H2,1-22H3/q+10
InChIKeyVKAULYZVCQGLGC-UHFFFAOYSA-N
MW1031.92 g/mol
LogP9.59
Rot. Bonds49

About 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

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 (PubChem CID 101017980) has the molecular formula C62H146N10+10 and a molecular weight of 1031.92 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nameethyl-[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
PubChem CID101017980
Molecular FormulaC62H146N10+10
Molecular Weight1031.92 g/mol
Exact Mass1031.17
IUPAC Nameethyl-[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
SMILESCC[N+](C)(C)CCCCCC[N+](C)(C)CC[N+](C)(C)CCCCCC[N+](C)(C)CC[N+](C)(C)CCCCCC[N+](C)(C)CC[N+](C)(C)CCCCCC[N+](C)(C)CC[N+](C)(C)CCCCCC[N+](C)(C)CC
InChIInChI=1S/C62H146N10/c1-23-63(3,4)45-35-25-27-37-47-65(7,8)55-57-67(11,12)49-39-29-31-41-51-69(15,16)59-61-71(19,20)53-43-33-34-44-54-72(21,22)62-60-70(17,18)52-42-32-30-40-50-68(13,14)58-56-66(9,10)48-38-28-26-36-46-64(5,6)24-2/h23-62H2,1-22H3/q+10
InChIKeyVKAULYZVCQGLGC-UHFFFAOYSA-N
XLogP9.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds49
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001031.92
LogP ≤ 59.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

ethyl-[4-[ethyl(dimethyl)azaniumyl]butyl]-dimethylazanium
CID 25995
dimethyl(dioctadecyl)azanium;dodecyl-ethyl-dimethylazanium;dibromide
CID 175504473
dodecyl-ethyl-dimethylazanium;hydrate
CID 175307815
2-[dimethyl(tetradecyl)azaniumyl]ethyl-[5-[2-[dodecyl(dimethyl)azaniumyl]ethyl-dimethylazaniumyl]pentyl]-dimethylazanium;dodecyl-[2-[5-[2-[dodecyl(dimethyl)azaniumyl]ethyl-dimethylazaniumyl]pentyl-dimethylazaniumyl]ethyl]-dimethylazanium
CID 161173678
hexadecyl-[2-[hexadecyl(dimethyl)azaniumyl]ethyl]-dimethylazanium;methane
CID 167589722
dodecyl-[2-[dodecyl(dimethyl)azaniumyl]ethyl]-dimethylazanium;methane
CID 167611622
decyl-dimethyl-tetradecylazanium
CID 13075680
dodecyl-dimethyl-undecylazanium
CID 21491028
dimethyl-pentyl-tridecylazanium
CID 160884159
heptyl-dimethyl-undecylazanium
CID 122480849
icosyl-[6-[icosyl(dimethyl)azaniumyl]hexyl]-dimethylazanium
CID 154725315
decyl-heptadecyl-dimethylazanium
CID 22158969

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC[N+](C)(C)CCCCCC[N+](C)(C)CC[N+](C)(C)CCCCCC[N+](C)(C)CC[N+](C)(C)CCCCCC[N+](C)(C)CC[N+](C)(C)CCCCCC[N+](C)(C)CC[N+](C)(C)CCCCCC[N+](C)(C)CC.
What is the InChIKey of 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?
The InChIKey is VKAULYZVCQGLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H146N10/c1-23-63(3,4)45-35-25-27-37-47-65(7,8)55-57-67(11,12)49-39-29-31-41-51-69(15,16)59-61-71(19,20)53-43-33-34-44-54-72(21,22)62-60-70(17,18)52-42-32-30-40-50-68(13,14)58-56-66(9,10)48-38-28-26-36-46-64(5,6)24-2/h23-62H2,1-22H3/q+10.
What are the key properties of 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?
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 has a molecular weight of 1031.92 g/mol, XLogP of 9.59, 49 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 101017980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).