2-[2-(2-hydroxyethylamino)ethylamino]ethanol;dihydrochloride

C6H18Cl2N2O2 — CID 87137347

IUPAC2-[2-(2-hydroxyethylamino)ethylamino]ethanol;dihydrochloride
SMILESCl.Cl.OCCNCCNCCO
InChIInChI=1S/C6H16N2O2.2ClH/c9-5-3-7-1-2-8-4-6-10;;/h7-10H,1-6H2;2*1H
InChIKeyQIYWXIDHSNCBFI-UHFFFAOYSA-N
MW221.13 g/mol
LogP-1.01
Rot. Bonds7

About 2-[2-(2-hydroxyethylamino)ethylamino]ethanol;dihydrochloride

2-[2-(2-hydroxyethylamino)ethylamino]ethanol;dihydrochloride (PubChem CID 87137347) has the molecular formula C6H18Cl2N2O2 and a molecular weight of 221.13 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethylamino)ethylamino]ethanol;dihydrochloride.

Molecular Properties

Compound Name2-[2-(2-hydroxyethylamino)ethylamino]ethanol;dihydrochloride
PubChem CID87137347
Molecular FormulaC6H18Cl2N2O2
Molecular Weight221.13 g/mol
Exact Mass220.07
IUPAC Name2-[2-(2-hydroxyethylamino)ethylamino]ethanol;dihydrochloride
SMILESCl.Cl.OCCNCCNCCO
InChIInChI=1S/C6H16N2O2.2ClH/c9-5-3-7-1-2-8-4-6-10;;/h7-10H,1-6H2;2*1H
InChIKeyQIYWXIDHSNCBFI-UHFFFAOYSA-N
XLogP-1.01
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.13
LogP ≤ 5-1.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-(2-hydroxyethylamino)ethylamino]ethanol;dihydrochloride?
The IUPAC name of 2-[2-(2-hydroxyethylamino)ethylamino]ethanol;dihydrochloride (CID 87137347) is 2-[2-(2-hydroxyethylamino)ethylamino]ethanol;dihydrochloride.
What is the SMILES notation for 2-[2-(2-hydroxyethylamino)ethylamino]ethanol;dihydrochloride?
The canonical SMILES for 2-[2-(2-hydroxyethylamino)ethylamino]ethanol;dihydrochloride is Cl.Cl.OCCNCCNCCO.
What is the InChIKey of 2-[2-(2-hydroxyethylamino)ethylamino]ethanol;dihydrochloride?
The InChIKey is QIYWXIDHSNCBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O2.2ClH/c9-5-3-7-1-2-8-4-6-10;;/h7-10H,1-6H2;2*1H.
What are the key properties of 2-[2-(2-hydroxyethylamino)ethylamino]ethanol;dihydrochloride?
2-[2-(2-hydroxyethylamino)ethylamino]ethanol;dihydrochloride has a molecular weight of 221.13 g/mol, XLogP of -1.01, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethylamino)ethylamino]ethanol;dihydrochloride is sourced from PubChem (CID 87137347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).