dibutyl(ethoxy)azanium

C10H24NO+ — CID 151968749

IUPACdibutyl(ethoxy)azanium
SMILESCCCC[NH+](CCCC)OCC
InChIInChI=1S/C10H23NO/c1-4-7-9-11(12-6-3)10-8-5-2/h4-10H2,1-3H3/p+1
InChIKeyUAFHNEMRCJTVGU-UHFFFAOYSA-O
MW174.31 g/mol
LogP1.42
Rot. Bonds8

About dibutyl(ethoxy)azanium

dibutyl(ethoxy)azanium (PubChem CID 151968749) has the molecular formula C10H24NO+ and a molecular weight of 174.31 g/mol. Its IUPAC name is dibutyl(ethoxy)azanium.

Molecular Properties

Compound Namedibutyl(ethoxy)azanium
PubChem CID151968749
Molecular FormulaC10H24NO+
Molecular Weight174.31 g/mol
Exact Mass174.19
IUPAC Namedibutyl(ethoxy)azanium
SMILESCCCC[NH+](CCCC)OCC
InChIInChI=1S/C10H23NO/c1-4-7-9-11(12-6-3)10-8-5-2/h4-10H2,1-3H3/p+1
InChIKeyUAFHNEMRCJTVGU-UHFFFAOYSA-O
XLogP1.42
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.31
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dibutyl(ethoxy)azanium?
The IUPAC name of dibutyl(ethoxy)azanium (CID 151968749) is dibutyl(ethoxy)azanium.
What is the SMILES notation for dibutyl(ethoxy)azanium?
The canonical SMILES for dibutyl(ethoxy)azanium is CCCC[NH+](CCCC)OCC.
What is the InChIKey of dibutyl(ethoxy)azanium?
The InChIKey is UAFHNEMRCJTVGU-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H23NO/c1-4-7-9-11(12-6-3)10-8-5-2/h4-10H2,1-3H3/p+1.
What are the key properties of dibutyl(ethoxy)azanium?
dibutyl(ethoxy)azanium has a molecular weight of 174.31 g/mol, XLogP of 1.42, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl(ethoxy)azanium is sourced from PubChem (CID 151968749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).