2-amino-1-(2-aminoethoxy)ethanol

C4H12N2O2 — CID 22372816

IUPAC2-amino-1-(2-aminoethoxy)ethanol
SMILESNCCOC(O)CN
InChIInChI=1S/C4H12N2O2/c5-1-2-8-4(7)3-6/h4,7H,1-3,5-6H2
InChIKeyDEJNSFSRLMHALC-UHFFFAOYSA-N
MW120.15 g/mol
LogP-1.76
Rot. Bonds4

About 2-amino-1-(2-aminoethoxy)ethanol

2-amino-1-(2-aminoethoxy)ethanol (PubChem CID 22372816) has the molecular formula C4H12N2O2 and a molecular weight of 120.15 g/mol. Its IUPAC name is 2-amino-1-(2-aminoethoxy)ethanol.

Molecular Properties

Compound Name2-amino-1-(2-aminoethoxy)ethanol
PubChem CID22372816
Molecular FormulaC4H12N2O2
Molecular Weight120.15 g/mol
Exact Mass120.09
IUPAC Name2-amino-1-(2-aminoethoxy)ethanol
SMILESNCCOC(O)CN
InChIInChI=1S/C4H12N2O2/c5-1-2-8-4(7)3-6/h4,7H,1-3,5-6H2
InChIKeyDEJNSFSRLMHALC-UHFFFAOYSA-N
XLogP-1.76
TPSA81.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 5-1.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-aminoethoxy)ethanol?
The IUPAC name of 2-amino-1-(2-aminoethoxy)ethanol (CID 22372816) is 2-amino-1-(2-aminoethoxy)ethanol.
What is the SMILES notation for 2-amino-1-(2-aminoethoxy)ethanol?
The canonical SMILES for 2-amino-1-(2-aminoethoxy)ethanol is NCCOC(O)CN.
What is the InChIKey of 2-amino-1-(2-aminoethoxy)ethanol?
The InChIKey is DEJNSFSRLMHALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O2/c5-1-2-8-4(7)3-6/h4,7H,1-3,5-6H2.
What are the key properties of 2-amino-1-(2-aminoethoxy)ethanol?
2-amino-1-(2-aminoethoxy)ethanol has a molecular weight of 120.15 g/mol, XLogP of -1.76, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-aminoethoxy)ethanol is sourced from PubChem (CID 22372816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).