2-aminoethyl(oxido)azanium

C2H8N2O — CID 59660215

IUPAC2-aminoethyl(oxido)azanium
SMILESNCC[NH2+][O-]
InChIInChI=1S/C2H8N2O/c3-1-2-4-5/h1-4H2
InChIKeyTYDKQZVMSLUOIH-UHFFFAOYSA-N
MW76.10 g/mol
LogP-1.99
Rot. Bonds2

About 2-aminoethyl(oxido)azanium

2-aminoethyl(oxido)azanium (PubChem CID 59660215) has the molecular formula C2H8N2O and a molecular weight of 76.10 g/mol. Its IUPAC name is 2-aminoethyl(oxido)azanium.

Molecular Properties

Compound Name2-aminoethyl(oxido)azanium
PubChem CID59660215
Molecular FormulaC2H8N2O
Molecular Weight76.10 g/mol
Exact Mass76.06
IUPAC Name2-aminoethyl(oxido)azanium
SMILESNCC[NH2+][O-]
InChIInChI=1S/C2H8N2O/c3-1-2-4-5/h1-4H2
InChIKeyTYDKQZVMSLUOIH-UHFFFAOYSA-N
XLogP-1.99
TPSA65.69 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50076.10
LogP ≤ 5-1.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2-aminoethyl(oxido)azanium?
The IUPAC name of 2-aminoethyl(oxido)azanium (CID 59660215) is 2-aminoethyl(oxido)azanium.
What is the SMILES notation for 2-aminoethyl(oxido)azanium?
The canonical SMILES for 2-aminoethyl(oxido)azanium is NCC[NH2+][O-].
What is the InChIKey of 2-aminoethyl(oxido)azanium?
The InChIKey is TYDKQZVMSLUOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8N2O/c3-1-2-4-5/h1-4H2.
What are the key properties of 2-aminoethyl(oxido)azanium?
2-aminoethyl(oxido)azanium has a molecular weight of 76.10 g/mol, XLogP of -1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl(oxido)azanium is sourced from PubChem (CID 59660215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).