bis(2-hydroxyethyl)azanium

C4H12NO2+ — CID 3736299

IUPACbis(2-hydroxyethyl)azanium
SMILESOCC[NH2+]CCO
InChIInChI=1S/C4H11NO2/c6-3-1-5-2-4-7/h5-7H,1-4H2/p+1
InChIKeyZBCBWPMODOFKDW-UHFFFAOYSA-O
MW106.15 g/mol
LogP-2.47
Rot. Bonds4

About bis(2-hydroxyethyl)azanium

bis(2-hydroxyethyl)azanium (PubChem CID 3736299) has the molecular formula C4H12NO2+ and a molecular weight of 106.15 g/mol. Its IUPAC name is bis(2-hydroxyethyl)azanium.

Molecular Properties

Compound Namebis(2-hydroxyethyl)azanium
PubChem CID3736299
Molecular FormulaC4H12NO2+
Molecular Weight106.15 g/mol
Exact Mass106.09
IUPAC Namebis(2-hydroxyethyl)azanium
SMILESOCC[NH2+]CCO
InChIInChI=1S/C4H11NO2/c6-3-1-5-2-4-7/h5-7H,1-4H2/p+1
InChIKeyZBCBWPMODOFKDW-UHFFFAOYSA-O
XLogP-2.47
TPSA57.07 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.15
LogP ≤ 5-2.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze bis(2-hydroxyethyl)azanium 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(2-hydroxyethyl)azanium?
The IUPAC name of bis(2-hydroxyethyl)azanium (CID 3736299) is bis(2-hydroxyethyl)azanium.
What is the SMILES notation for bis(2-hydroxyethyl)azanium?
The canonical SMILES for bis(2-hydroxyethyl)azanium is OCC[NH2+]CCO.
What is the InChIKey of bis(2-hydroxyethyl)azanium?
The InChIKey is ZBCBWPMODOFKDW-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H11NO2/c6-3-1-5-2-4-7/h5-7H,1-4H2/p+1.
What are the key properties of bis(2-hydroxyethyl)azanium?
bis(2-hydroxyethyl)azanium has a molecular weight of 106.15 g/mol, XLogP of -2.47, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-hydroxyethyl)azanium is sourced from PubChem (CID 3736299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).