ethoxy-diethyl-methylazanium hydroxide

C7H19NO2 — CID 174815518

IUPACethoxy-diethyl-methylazanium hydroxide
SMILESCCO[N+](C)(CC)CC.[OH-]
InChIInChI=1S/C7H18NO.H2O/c1-5-8(4,6-2)9-7-3;/h5-7H2,1-4H3;1H2/q+1;/p-1
InChIKeyUWKNOSFFSFEESM-UHFFFAOYSA-M
MW149.23 g/mol
LogP1.25
Rot. Bonds4

About ethoxy-diethyl-methylazanium hydroxide

ethoxy-diethyl-methylazanium hydroxide (PubChem CID 174815518) has the molecular formula C7H19NO2 and a molecular weight of 149.23 g/mol. Its IUPAC name is ethoxy-diethyl-methylazanium hydroxide.

Molecular Properties

Compound Nameethoxy-diethyl-methylazanium hydroxide
PubChem CID174815518
Molecular FormulaC7H19NO2
Molecular Weight149.23 g/mol
Exact Mass149.14
IUPAC Nameethoxy-diethyl-methylazanium hydroxide
SMILESCCO[N+](C)(CC)CC.[OH-]
InChIInChI=1S/C7H18NO.H2O/c1-5-8(4,6-2)9-7-3;/h5-7H2,1-4H3;1H2/q+1;/p-1
InChIKeyUWKNOSFFSFEESM-UHFFFAOYSA-M
XLogP1.25
TPSA39.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.23
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethoxy-diethyl-methylazanium hydroxide?
The IUPAC name of ethoxy-diethyl-methylazanium hydroxide (CID 174815518) is ethoxy-diethyl-methylazanium hydroxide.
What is the SMILES notation for ethoxy-diethyl-methylazanium hydroxide?
The canonical SMILES for ethoxy-diethyl-methylazanium hydroxide is CCO[N+](C)(CC)CC.[OH-].
What is the InChIKey of ethoxy-diethyl-methylazanium hydroxide?
The InChIKey is UWKNOSFFSFEESM-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H18NO.H2O/c1-5-8(4,6-2)9-7-3;/h5-7H2,1-4H3;1H2/q+1;/p-1.
What are the key properties of ethoxy-diethyl-methylazanium hydroxide?
ethoxy-diethyl-methylazanium hydroxide has a molecular weight of 149.23 g/mol, XLogP of 1.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-diethyl-methylazanium hydroxide is sourced from PubChem (CID 174815518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).