benzyl(trimethyl)azanium;ethoxyethane

C14H26NO+ — CID 88793118

IUPACbenzyl(trimethyl)azanium;ethoxyethane
SMILESCCOCC.C[N+](C)(C)Cc1ccccc1
InChIInChI=1S/C10H16N.C4H10O/c1-11(2,3)9-10-7-5-4-6-8-10;1-3-5-4-2/h4-8H,9H2,1-3H3;3-4H2,1-2H3/q+1;
InChIKeyCEVIQCXPJYHWJP-UHFFFAOYSA-N
MW224.37 g/mol
LogP2.94
Rot. Bonds4

About benzyl(trimethyl)azanium;ethoxyethane

benzyl(trimethyl)azanium;ethoxyethane (PubChem CID 88793118) has the molecular formula C14H26NO+ and a molecular weight of 224.37 g/mol. Its IUPAC name is benzyl(trimethyl)azanium;ethoxyethane.

Molecular Properties

Compound Namebenzyl(trimethyl)azanium;ethoxyethane
PubChem CID88793118
Molecular FormulaC14H26NO+
Molecular Weight224.37 g/mol
Exact Mass224.20
IUPAC Namebenzyl(trimethyl)azanium;ethoxyethane
SMILESCCOCC.C[N+](C)(C)Cc1ccccc1
InChIInChI=1S/C10H16N.C4H10O/c1-11(2,3)9-10-7-5-4-6-8-10;1-3-5-4-2/h4-8H,9H2,1-3H3;3-4H2,1-2H3/q+1;
InChIKeyCEVIQCXPJYHWJP-UHFFFAOYSA-N
XLogP2.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 52.94
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

CID 87882196
CID 87882196
azane;benzyl(trimethyl)azanium;hydroxide;hydrate
CID 174405671
benzyl(triethyl)azanium;benzyl(trimethyl)azanium;dichloride
CID 141447337
benzylbenzene;ethoxyethane
CID 69148831
benzyl(trimethyl)azanium;chloro(trimethyl)alumanuide
CID 87100014
benzyl(trimethyl)azanium;hydroxymethanolate
CID 87247218
benzyl(trimethyl)azanium;propanoate
CID 87903949
bis(benzyl(trimethyl)azanium);dihydroxy(dioxido)silane
CID 142675519
tris(benzyl(trimethyl)azanium);chlorobenzene;tribromide
CID 175078088
benzyl(trimethyl)azanium;trimethyl(phenyl)azanium;dihydroxide
CID 172808382
benzyl(trimethyl)azanium;propanedioic acid
CID 87600376
(213C)ethoxymethylbenzene
CID 87947851

Frequently Asked Questions

What is the IUPAC name of benzyl(trimethyl)azanium;ethoxyethane?
The IUPAC name of benzyl(trimethyl)azanium;ethoxyethane (CID 88793118) is benzyl(trimethyl)azanium;ethoxyethane.
What is the SMILES notation for benzyl(trimethyl)azanium;ethoxyethane?
The canonical SMILES for benzyl(trimethyl)azanium;ethoxyethane is CCOCC.C[N+](C)(C)Cc1ccccc1.
What is the InChIKey of benzyl(trimethyl)azanium;ethoxyethane?
The InChIKey is CEVIQCXPJYHWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N.C4H10O/c1-11(2,3)9-10-7-5-4-6-8-10;1-3-5-4-2/h4-8H,9H2,1-3H3;3-4H2,1-2H3/q+1;.
What are the key properties of benzyl(trimethyl)azanium;ethoxyethane?
benzyl(trimethyl)azanium;ethoxyethane has a molecular weight of 224.37 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl(trimethyl)azanium;ethoxyethane is sourced from PubChem (CID 88793118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).