butyl-diethyl-methylazanium;3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate

C19H41NO6 — CID 118645032

IUPACbutyl-diethyl-methylazanium;3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate
SMILESCCCC[N+](C)(CC)CC.COCCOCCOCCOCCC(=O)[O-]
InChIInChI=1S/C10H20O6.C9H22N/c1-13-4-5-15-8-9-16-7-6-14-3-2-10(11)12;1-5-8-9-10(4,6-2)7-3/h2-9H2,1H3,(H,11,12);5-9H2,1-4H3/q;+1/p-1
InChIKeyFQLGEBQCFRKJSB-UHFFFAOYSA-M
MW379.54 g/mol
LogP1.10
Rot. Bonds17

About butyl-diethyl-methylazanium;3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate

butyl-diethyl-methylazanium;3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate (PubChem CID 118645032) has the molecular formula C19H41NO6 and a molecular weight of 379.54 g/mol. Its IUPAC name is butyl-diethyl-methylazanium;3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate.

Molecular Properties

Compound Namebutyl-diethyl-methylazanium;3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate
PubChem CID118645032
Molecular FormulaC19H41NO6
Molecular Weight379.54 g/mol
Exact Mass379.29
IUPAC Namebutyl-diethyl-methylazanium;3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate
SMILESCCCC[N+](C)(CC)CC.COCCOCCOCCOCCC(=O)[O-]
InChIInChI=1S/C10H20O6.C9H22N/c1-13-4-5-15-8-9-16-7-6-14-3-2-10(11)12;1-5-8-9-10(4,6-2)7-3/h2-9H2,1H3,(H,11,12);5-9H2,1-4H3/q;+1/p-1
InChIKeyFQLGEBQCFRKJSB-UHFFFAOYSA-M
XLogP1.10
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.54
LogP ≤ 51.10
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'}

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Frequently Asked Questions

What is the IUPAC name of butyl-diethyl-methylazanium;3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate?
The IUPAC name of butyl-diethyl-methylazanium;3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate (CID 118645032) is butyl-diethyl-methylazanium;3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate.
What is the SMILES notation for butyl-diethyl-methylazanium;3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate?
The canonical SMILES for butyl-diethyl-methylazanium;3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate is CCCC[N+](C)(CC)CC.COCCOCCOCCOCCC(=O)[O-].
What is the InChIKey of butyl-diethyl-methylazanium;3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate?
The InChIKey is FQLGEBQCFRKJSB-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H20O6.C9H22N/c1-13-4-5-15-8-9-16-7-6-14-3-2-10(11)12;1-5-8-9-10(4,6-2)7-3/h2-9H2,1H3,(H,11,12);5-9H2,1-4H3/q;+1/p-1.
What are the key properties of butyl-diethyl-methylazanium;3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate?
butyl-diethyl-methylazanium;3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate has a molecular weight of 379.54 g/mol, XLogP of 1.10, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-diethyl-methylazanium;3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate is sourced from PubChem (CID 118645032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).