2-[bis[2-[butyl(dimethyl)azaniumyl]ethyl]amino]ethyl-butyl-dimethylazanium;ethane

C26H63N4+3 — CID 143920284

IUPAC2-[bis[2-[butyl(dimethyl)azaniumyl]ethyl]amino]ethyl-butyl-dimethylazanium;ethane
SMILESCC.CCCC[N+](C)(C)CCN(CC[N+](C)(C)CCCC)CC[N+](C)(C)CCCC
InChIInChI=1S/C24H57N4.C2H6/c1-10-13-19-26(4,5)22-16-25(17-23-27(6,7)20-14-11-2)18-24-28(8,9)21-15-12-3;1-2/h10-24H2,1-9H3;1-2H3/q+3;
InChIKeyHZMUALOJIOYXML-UHFFFAOYSA-N
MW431.82 g/mol
LogP4.94
Rot. Bonds18

About 2-[bis[2-[butyl(dimethyl)azaniumyl]ethyl]amino]ethyl-butyl-dimethylazanium;ethane

2-[bis[2-[butyl(dimethyl)azaniumyl]ethyl]amino]ethyl-butyl-dimethylazanium;ethane (PubChem CID 143920284) has the molecular formula C26H63N4+3 and a molecular weight of 431.82 g/mol. Its IUPAC name is 2-[bis[2-[butyl(dimethyl)azaniumyl]ethyl]amino]ethyl-butyl-dimethylazanium;ethane.

Molecular Properties

Compound Name2-[bis[2-[butyl(dimethyl)azaniumyl]ethyl]amino]ethyl-butyl-dimethylazanium;ethane
PubChem CID143920284
Molecular FormulaC26H63N4+3
Molecular Weight431.82 g/mol
Exact Mass431.50
IUPAC Name2-[bis[2-[butyl(dimethyl)azaniumyl]ethyl]amino]ethyl-butyl-dimethylazanium;ethane
SMILESCC.CCCC[N+](C)(C)CCN(CC[N+](C)(C)CCCC)CC[N+](C)(C)CCCC
InChIInChI=1S/C24H57N4.C2H6/c1-10-13-19-26(4,5)22-16-25(17-23-27(6,7)20-14-11-2)18-24-28(8,9)21-15-12-3;1-2/h10-24H2,1-9H3;1-2H3/q+3;
InChIKeyHZMUALOJIOYXML-UHFFFAOYSA-N
XLogP4.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.82
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

butyl-dimethyl-propylazanium;ethane
CID 156736047
boranuide;hexadecyl-hexyl-dimethylazanium
CID 173258453
butyl-dimethyl-pentadecylazanium
CID 58827785
2-(dimethylamino)ethyl-icosyl-dimethylazanium
CID 72947262
2-[2-[dimethyl(tridecyl)azaniumyl]ethyl-methylamino]ethyl-dimethyl-tridecylazanium
CID 175684926
2-(dimethylamino)ethyl-dimethyl-octylazanium
CID 14625803
hexadecyl-[2-[hexadecyl(dimethyl)azaniumyl]ethyl]-dimethylazanium;methane
CID 167589722
dodecyl-[2-[dodecyl(dimethyl)azaniumyl]ethyl]-dimethylazanium;methane
CID 167611622
butyl-dodecyl-dimethylazanium iodide
CID 10524862
decyl-heptadecyl-dimethylazanium
CID 22158969
decyl-dimethyl-tetradecylazanium
CID 13075680
heptyl-[4-[hexadecyl(dimethyl)azaniumyl]butyl]-dimethylazanium
CID 175704870

Frequently Asked Questions

What is the IUPAC name of 2-[bis[2-[butyl(dimethyl)azaniumyl]ethyl]amino]ethyl-butyl-dimethylazanium;ethane?
The IUPAC name of 2-[bis[2-[butyl(dimethyl)azaniumyl]ethyl]amino]ethyl-butyl-dimethylazanium;ethane (CID 143920284) is 2-[bis[2-[butyl(dimethyl)azaniumyl]ethyl]amino]ethyl-butyl-dimethylazanium;ethane.
What is the SMILES notation for 2-[bis[2-[butyl(dimethyl)azaniumyl]ethyl]amino]ethyl-butyl-dimethylazanium;ethane?
The canonical SMILES for 2-[bis[2-[butyl(dimethyl)azaniumyl]ethyl]amino]ethyl-butyl-dimethylazanium;ethane is CC.CCCC[N+](C)(C)CCN(CC[N+](C)(C)CCCC)CC[N+](C)(C)CCCC.
What is the InChIKey of 2-[bis[2-[butyl(dimethyl)azaniumyl]ethyl]amino]ethyl-butyl-dimethylazanium;ethane?
The InChIKey is HZMUALOJIOYXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H57N4.C2H6/c1-10-13-19-26(4,5)22-16-25(17-23-27(6,7)20-14-11-2)18-24-28(8,9)21-15-12-3;1-2/h10-24H2,1-9H3;1-2H3/q+3;.
What are the key properties of 2-[bis[2-[butyl(dimethyl)azaniumyl]ethyl]amino]ethyl-butyl-dimethylazanium;ethane?
2-[bis[2-[butyl(dimethyl)azaniumyl]ethyl]amino]ethyl-butyl-dimethylazanium;ethane has a molecular weight of 431.82 g/mol, XLogP of 4.94, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis[2-[butyl(dimethyl)azaniumyl]ethyl]amino]ethyl-butyl-dimethylazanium;ethane is sourced from PubChem (CID 143920284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).