tris[2-(2-methoxyethoxy)ethyl]-propylazanium;trihydrobromide

C18H43Br3NO6+ — CID 173388150

IUPACtris[2-(2-methoxyethoxy)ethyl]-propylazanium;trihydrobromide
SMILESBr.Br.Br.CCC[N+](CCOCCOC)(CCOCCOC)CCOCCOC
InChIInChI=1S/C18H40NO6.3BrH/c1-5-6-19(7-10-23-16-13-20-2,8-11-24-17-14-21-3)9-12-25-18-15-22-4;;;/h5-18H2,1-4H3;3*1H/q+1;;;
InChIKeyATVOGNLSLVYBTD-UHFFFAOYSA-N
MW609.26 g/mol
LogP2.94
Rot. Bonds20

About tris[2-(2-methoxyethoxy)ethyl]-propylazanium;trihydrobromide

tris[2-(2-methoxyethoxy)ethyl]-propylazanium;trihydrobromide (PubChem CID 173388150) has the molecular formula C18H43Br3NO6+ and a molecular weight of 609.26 g/mol. Its IUPAC name is tris[2-(2-methoxyethoxy)ethyl]-propylazanium;trihydrobromide.

Molecular Properties

Compound Nametris[2-(2-methoxyethoxy)ethyl]-propylazanium;trihydrobromide
PubChem CID173388150
Molecular FormulaC18H43Br3NO6+
Molecular Weight609.26 g/mol
Exact Mass606.06
IUPAC Nametris[2-(2-methoxyethoxy)ethyl]-propylazanium;trihydrobromide
SMILESBr.Br.Br.CCC[N+](CCOCCOC)(CCOCCOC)CCOCCOC
InChIInChI=1S/C18H40NO6.3BrH/c1-5-6-19(7-10-23-16-13-20-2,8-11-24-17-14-21-3)9-12-25-18-15-22-4;;;/h5-18H2,1-4H3;3*1H/q+1;;;
InChIKeyATVOGNLSLVYBTD-UHFFFAOYSA-N
XLogP2.94
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500609.26
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tris[2-(2-methoxyethoxy)ethyl]-propylazanium;trihydrobromide 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

3-(2-methoxyethoxy)propanoate;tetrapropylazanium
CID 118645219
2-(2-octadecoxyethoxy)ethyl-tripropylazanium chloride
CID 88506808
triethyl-[2-(2-methoxyethoxy)ethyl]azanium tetrafluoroborate
CID 87737614
tributyl-[2-[2-[2-(tributylazaniumyl)ethoxy]ethoxy]ethyl]azanium
CID 15044940
1-methoxy-2-(2-methoxyethoxy)ethane;1-propoxypropane
CID 160614249
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 8189
1,2-dimethoxyethane;1-methoxy-2-(2-methoxyethoxy)ethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 159847962
diethyl-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-methylazanium
CID 90306950
bis[2-(2-methoxyethoxy)ethyl]-dimethylazanium chloride
CID 129073269
1-[2-(2-butoxyethoxy)ethoxy]butane;1-[2-(2-methoxyethoxy)ethoxy]pentane
CID 157339506
1-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octane
CID 175220502

Frequently Asked Questions

What is the IUPAC name of tris[2-(2-methoxyethoxy)ethyl]-propylazanium;trihydrobromide?
The IUPAC name of tris[2-(2-methoxyethoxy)ethyl]-propylazanium;trihydrobromide (CID 173388150) is tris[2-(2-methoxyethoxy)ethyl]-propylazanium;trihydrobromide.
What is the SMILES notation for tris[2-(2-methoxyethoxy)ethyl]-propylazanium;trihydrobromide?
The canonical SMILES for tris[2-(2-methoxyethoxy)ethyl]-propylazanium;trihydrobromide is Br.Br.Br.CCC[N+](CCOCCOC)(CCOCCOC)CCOCCOC.
What is the InChIKey of tris[2-(2-methoxyethoxy)ethyl]-propylazanium;trihydrobromide?
The InChIKey is ATVOGNLSLVYBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40NO6.3BrH/c1-5-6-19(7-10-23-16-13-20-2,8-11-24-17-14-21-3)9-12-25-18-15-22-4;;;/h5-18H2,1-4H3;3*1H/q+1;;;.
What are the key properties of tris[2-(2-methoxyethoxy)ethyl]-propylazanium;trihydrobromide?
tris[2-(2-methoxyethoxy)ethyl]-propylazanium;trihydrobromide has a molecular weight of 609.26 g/mol, XLogP of 2.94, 20 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris[2-(2-methoxyethoxy)ethyl]-propylazanium;trihydrobromide is sourced from PubChem (CID 173388150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).