dibutyl(propoxy)azanium

C11H26NO+ — CID 173372883

IUPACdibutyl(propoxy)azanium
SMILESCCCC[NH+](CCCC)OCCC
InChIInChI=1S/C11H25NO/c1-4-7-9-12(10-8-5-2)13-11-6-3/h4-11H2,1-3H3/p+1
InChIKeyIRLUGSUWVZQMSB-UHFFFAOYSA-O
MW188.33 g/mol
LogP1.81
Rot. Bonds9

About dibutyl(propoxy)azanium

dibutyl(propoxy)azanium (PubChem CID 173372883) has the molecular formula C11H26NO+ and a molecular weight of 188.33 g/mol. Its IUPAC name is dibutyl(propoxy)azanium.

Molecular Properties

Compound Namedibutyl(propoxy)azanium
PubChem CID173372883
Molecular FormulaC11H26NO+
Molecular Weight188.33 g/mol
Exact Mass188.20
IUPAC Namedibutyl(propoxy)azanium
SMILESCCCC[NH+](CCCC)OCCC
InChIInChI=1S/C11H25NO/c1-4-7-9-12(10-8-5-2)13-11-6-3/h4-11H2,1-3H3/p+1
InChIKeyIRLUGSUWVZQMSB-UHFFFAOYSA-O
XLogP1.81
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.33
LogP ≤ 51.81
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(propoxy)azanium?
The IUPAC name of dibutyl(propoxy)azanium (CID 173372883) is dibutyl(propoxy)azanium.
What is the SMILES notation for dibutyl(propoxy)azanium?
The canonical SMILES for dibutyl(propoxy)azanium is CCCC[NH+](CCCC)OCCC.
What is the InChIKey of dibutyl(propoxy)azanium?
The InChIKey is IRLUGSUWVZQMSB-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H25NO/c1-4-7-9-12(10-8-5-2)13-11-6-3/h4-11H2,1-3H3/p+1.
What are the key properties of dibutyl(propoxy)azanium?
dibutyl(propoxy)azanium has a molecular weight of 188.33 g/mol, XLogP of 1.81, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl(propoxy)azanium is sourced from PubChem (CID 173372883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).