2-(2-aminoethylamino)ethanol

C4H12N2O — CID 8112

IUPAC2-(2-aminoethylamino)ethanol
SMILESNCCNCCO
InChIInChI=1S/C4H12N2O/c5-1-2-6-3-4-7/h6-7H,1-5H2
InChIKeyLHIJANUOQQMGNT-UHFFFAOYSA-N
MW104.15 g/mol
LogP-1.47
Rot. Bonds4

About 2-(2-aminoethylamino)ethanol

2-(2-aminoethylamino)ethanol (PubChem CID 8112) has the molecular formula C4H12N2O and a molecular weight of 104.15 g/mol. Its IUPAC name is 2-(2-aminoethylamino)ethanol.

Molecular Properties

Compound Name2-(2-aminoethylamino)ethanol
PubChem CID8112
Molecular FormulaC4H12N2O
Molecular Weight104.15 g/mol
Exact Mass104.09
IUPAC Name2-(2-aminoethylamino)ethanol
SMILESNCCNCCO
InChIInChI=1S/C4H12N2O/c5-1-2-6-3-4-7/h6-7H,1-5H2
InChIKeyLHIJANUOQQMGNT-UHFFFAOYSA-N
XLogP-1.47
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.15
LogP ≤ 5-1.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-aminoethylamino)ethanol?
The IUPAC name of 2-(2-aminoethylamino)ethanol (CID 8112) is 2-(2-aminoethylamino)ethanol.
What is the SMILES notation for 2-(2-aminoethylamino)ethanol?
The canonical SMILES for 2-(2-aminoethylamino)ethanol is NCCNCCO.
What is the InChIKey of 2-(2-aminoethylamino)ethanol?
The InChIKey is LHIJANUOQQMGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O/c5-1-2-6-3-4-7/h6-7H,1-5H2.
What are the key properties of 2-(2-aminoethylamino)ethanol?
2-(2-aminoethylamino)ethanol has a molecular weight of 104.15 g/mol, XLogP of -1.47, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylamino)ethanol is sourced from PubChem (CID 8112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).