2-(2-hydroxyethoxy)ethylazanium

C4H12NO2+ — CID 6995582

IUPAC2-(2-hydroxyethoxy)ethylazanium
SMILES[NH3+]CCOCCO
InChIInChI=1S/C4H11NO2/c5-1-3-7-4-2-6/h6H,1-5H2/p+1
InChIKeyGIAFURWZWWWBQT-UHFFFAOYSA-O
MW106.15 g/mol
LogP-1.76
Rot. Bonds4

About 2-(2-hydroxyethoxy)ethylazanium

2-(2-hydroxyethoxy)ethylazanium (PubChem CID 6995582) has the molecular formula C4H12NO2+ and a molecular weight of 106.15 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)ethylazanium.

Molecular Properties

Compound Name2-(2-hydroxyethoxy)ethylazanium
PubChem CID6995582
Molecular FormulaC4H12NO2+
Molecular Weight106.15 g/mol
Exact Mass106.09
IUPAC Name2-(2-hydroxyethoxy)ethylazanium
SMILES[NH3+]CCOCCO
InChIInChI=1S/C4H11NO2/c5-1-3-7-4-2-6/h6H,1-5H2/p+1
InChIKeyGIAFURWZWWWBQT-UHFFFAOYSA-O
XLogP-1.76
TPSA57.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.15
LogP ≤ 5-1.76
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-hydroxyethoxy)ethylazanium?
The IUPAC name of 2-(2-hydroxyethoxy)ethylazanium (CID 6995582) is 2-(2-hydroxyethoxy)ethylazanium.
What is the SMILES notation for 2-(2-hydroxyethoxy)ethylazanium?
The canonical SMILES for 2-(2-hydroxyethoxy)ethylazanium is [NH3+]CCOCCO.
What is the InChIKey of 2-(2-hydroxyethoxy)ethylazanium?
The InChIKey is GIAFURWZWWWBQT-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H11NO2/c5-1-3-7-4-2-6/h6H,1-5H2/p+1.
What are the key properties of 2-(2-hydroxyethoxy)ethylazanium?
2-(2-hydroxyethoxy)ethylazanium has a molecular weight of 106.15 g/mol, XLogP of -1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxy)ethylazanium is sourced from PubChem (CID 6995582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).