2-(2-aminoethylamino)ethanol;2-(methylamino)ethanol

C7H21N3O2 — CID 88701366

IUPAC2-(2-aminoethylamino)ethanol;2-(methylamino)ethanol
SMILESCNCCO.NCCNCCO
InChIInChI=1S/C4H12N2O.C3H9NO/c5-1-2-6-3-4-7;1-4-2-3-5/h6-7H,1-5H2;4-5H,2-3H2,1H3
InChIKeyIGIDYSDYTAOZLF-UHFFFAOYSA-N
MW179.26 g/mol
LogP-2.27
Rot. Bonds6

About 2-(2-aminoethylamino)ethanol;2-(methylamino)ethanol

2-(2-aminoethylamino)ethanol;2-(methylamino)ethanol (PubChem CID 88701366) has the molecular formula C7H21N3O2 and a molecular weight of 179.26 g/mol. Its IUPAC name is 2-(2-aminoethylamino)ethanol;2-(methylamino)ethanol.

Molecular Properties

Compound Name2-(2-aminoethylamino)ethanol;2-(methylamino)ethanol
PubChem CID88701366
Molecular FormulaC7H21N3O2
Molecular Weight179.26 g/mol
Exact Mass179.16
IUPAC Name2-(2-aminoethylamino)ethanol;2-(methylamino)ethanol
SMILESCNCCO.NCCNCCO
InChIInChI=1S/C4H12N2O.C3H9NO/c5-1-2-6-3-4-7;1-4-2-3-5/h6-7H,1-5H2;4-5H,2-3H2,1H3
InChIKeyIGIDYSDYTAOZLF-UHFFFAOYSA-N
XLogP-2.27
TPSA90.54 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 5-2.27
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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;2-(methylamino)ethanol?
The IUPAC name of 2-(2-aminoethylamino)ethanol;2-(methylamino)ethanol (CID 88701366) is 2-(2-aminoethylamino)ethanol;2-(methylamino)ethanol.
What is the SMILES notation for 2-(2-aminoethylamino)ethanol;2-(methylamino)ethanol?
The canonical SMILES for 2-(2-aminoethylamino)ethanol;2-(methylamino)ethanol is CNCCO.NCCNCCO.
What is the InChIKey of 2-(2-aminoethylamino)ethanol;2-(methylamino)ethanol?
The InChIKey is IGIDYSDYTAOZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O.C3H9NO/c5-1-2-6-3-4-7;1-4-2-3-5/h6-7H,1-5H2;4-5H,2-3H2,1H3.
What are the key properties of 2-(2-aminoethylamino)ethanol;2-(methylamino)ethanol?
2-(2-aminoethylamino)ethanol;2-(methylamino)ethanol has a molecular weight of 179.26 g/mol, XLogP of -2.27, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylamino)ethanol;2-(methylamino)ethanol is sourced from PubChem (CID 88701366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).