bis(3-hydroxypropoxy)-oxoazanium

C6H14NO5+ — CID 57279533

IUPACbis(3-hydroxypropoxy)-oxoazanium
SMILESO=[N+](OCCCO)OCCCO
InChIInChI=1S/C6H14NO5/c8-3-1-5-11-7(10)12-6-2-4-9/h8-9H,1-6H2/q+1
InChIKeyKQFHNFRCMLTTTG-UHFFFAOYSA-N
MW180.18 g/mol
LogP-0.61
Rot. Bonds8

About bis(3-hydroxypropoxy)-oxoazanium

bis(3-hydroxypropoxy)-oxoazanium (PubChem CID 57279533) has the molecular formula C6H14NO5+ and a molecular weight of 180.18 g/mol. Its IUPAC name is bis(3-hydroxypropoxy)-oxoazanium.

Molecular Properties

Compound Namebis(3-hydroxypropoxy)-oxoazanium
PubChem CID57279533
Molecular FormulaC6H14NO5+
Molecular Weight180.18 g/mol
Exact Mass180.09
IUPAC Namebis(3-hydroxypropoxy)-oxoazanium
SMILESO=[N+](OCCCO)OCCCO
InChIInChI=1S/C6H14NO5/c8-3-1-5-11-7(10)12-6-2-4-9/h8-9H,1-6H2/q+1
InChIKeyKQFHNFRCMLTTTG-UHFFFAOYSA-N
XLogP-0.61
TPSA79.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze bis(3-hydroxypropoxy)-oxoazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(3-hydroxypropoxy)-oxoazanium?
The IUPAC name of bis(3-hydroxypropoxy)-oxoazanium (CID 57279533) is bis(3-hydroxypropoxy)-oxoazanium.
What is the SMILES notation for bis(3-hydroxypropoxy)-oxoazanium?
The canonical SMILES for bis(3-hydroxypropoxy)-oxoazanium is O=[N+](OCCCO)OCCCO.
What is the InChIKey of bis(3-hydroxypropoxy)-oxoazanium?
The InChIKey is KQFHNFRCMLTTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14NO5/c8-3-1-5-11-7(10)12-6-2-4-9/h8-9H,1-6H2/q+1.
What are the key properties of bis(3-hydroxypropoxy)-oxoazanium?
bis(3-hydroxypropoxy)-oxoazanium has a molecular weight of 180.18 g/mol, XLogP of -0.61, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-hydroxypropoxy)-oxoazanium is sourced from PubChem (CID 57279533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).