2-(2-aminoethoxy)ethylazanium

C4H13N2O+ — CID 154027199

IUPAC2-(2-aminoethoxy)ethylazanium
SMILESNCCOCC[NH3+]
InChIInChI=1S/C4H12N2O/c5-1-3-7-4-2-6/h1-6H2/p+1
InChIKeyGXVUZYLYWKWJIM-UHFFFAOYSA-O
MW105.16 g/mol
LogP-1.80
Rot. Bonds4

About 2-(2-aminoethoxy)ethylazanium

2-(2-aminoethoxy)ethylazanium (PubChem CID 154027199) has the molecular formula C4H13N2O+ and a molecular weight of 105.16 g/mol. Its IUPAC name is 2-(2-aminoethoxy)ethylazanium.

Molecular Properties

Compound Name2-(2-aminoethoxy)ethylazanium
PubChem CID154027199
Molecular FormulaC4H13N2O+
Molecular Weight105.16 g/mol
Exact Mass105.10
IUPAC Name2-(2-aminoethoxy)ethylazanium
SMILESNCCOCC[NH3+]
InChIInChI=1S/C4H12N2O/c5-1-3-7-4-2-6/h1-6H2/p+1
InChIKeyGXVUZYLYWKWJIM-UHFFFAOYSA-O
XLogP-1.80
TPSA62.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.16
LogP ≤ 5-1.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)ethylazanium?
The IUPAC name of 2-(2-aminoethoxy)ethylazanium (CID 154027199) is 2-(2-aminoethoxy)ethylazanium.
What is the SMILES notation for 2-(2-aminoethoxy)ethylazanium?
The canonical SMILES for 2-(2-aminoethoxy)ethylazanium is NCCOCC[NH3+].
What is the InChIKey of 2-(2-aminoethoxy)ethylazanium?
The InChIKey is GXVUZYLYWKWJIM-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H12N2O/c5-1-3-7-4-2-6/h1-6H2/p+1.
What are the key properties of 2-(2-aminoethoxy)ethylazanium?
2-(2-aminoethoxy)ethylazanium has a molecular weight of 105.16 g/mol, XLogP of -1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)ethylazanium is sourced from PubChem (CID 154027199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).