butyl-bis[2-(2-hydroxyethoxy)ethyl]-methylazanium

C13H30NO4+ — CID 20802452

IUPACbutyl-bis[2-(2-hydroxyethoxy)ethyl]-methylazanium
SMILESCCCC[N+](C)(CCOCCO)CCOCCO
InChIInChI=1S/C13H30NO4/c1-3-4-5-14(2,6-10-17-12-8-15)7-11-18-13-9-16/h15-16H,3-13H2,1-2H3/q+1
InChIKeyWBZYEMAVXFJLML-UHFFFAOYSA-N
MW264.39 g/mol
LogP0.25
Rot. Bonds13

About butyl-bis[2-(2-hydroxyethoxy)ethyl]-methylazanium

butyl-bis[2-(2-hydroxyethoxy)ethyl]-methylazanium (PubChem CID 20802452) has the molecular formula C13H30NO4+ and a molecular weight of 264.39 g/mol. Its IUPAC name is butyl-bis[2-(2-hydroxyethoxy)ethyl]-methylazanium.

Molecular Properties

Compound Namebutyl-bis[2-(2-hydroxyethoxy)ethyl]-methylazanium
PubChem CID20802452
Molecular FormulaC13H30NO4+
Molecular Weight264.39 g/mol
Exact Mass264.22
IUPAC Namebutyl-bis[2-(2-hydroxyethoxy)ethyl]-methylazanium
SMILESCCCC[N+](C)(CCOCCO)CCOCCO
InChIInChI=1S/C13H30NO4/c1-3-4-5-14(2,6-10-17-12-8-15)7-11-18-13-9-16/h15-16H,3-13H2,1-2H3/q+1
InChIKeyWBZYEMAVXFJLML-UHFFFAOYSA-N
XLogP0.25
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butyl-bis[2-(2-hydroxyethoxy)ethyl]-methylazanium?
The IUPAC name of butyl-bis[2-(2-hydroxyethoxy)ethyl]-methylazanium (CID 20802452) is butyl-bis[2-(2-hydroxyethoxy)ethyl]-methylazanium.
What is the SMILES notation for butyl-bis[2-(2-hydroxyethoxy)ethyl]-methylazanium?
The canonical SMILES for butyl-bis[2-(2-hydroxyethoxy)ethyl]-methylazanium is CCCC[N+](C)(CCOCCO)CCOCCO.
What is the InChIKey of butyl-bis[2-(2-hydroxyethoxy)ethyl]-methylazanium?
The InChIKey is WBZYEMAVXFJLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30NO4/c1-3-4-5-14(2,6-10-17-12-8-15)7-11-18-13-9-16/h15-16H,3-13H2,1-2H3/q+1.
What are the key properties of butyl-bis[2-(2-hydroxyethoxy)ethyl]-methylazanium?
butyl-bis[2-(2-hydroxyethoxy)ethyl]-methylazanium has a molecular weight of 264.39 g/mol, XLogP of 0.25, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-bis[2-(2-hydroxyethoxy)ethyl]-methylazanium is sourced from PubChem (CID 20802452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).