2-(2-aminoethylamino)ethanol;2-[bis(2-hydroxyethyl)amino]ethanol

C10H27N3O4 — CID 161491174

IUPAC2-(2-aminoethylamino)ethanol;2-[bis(2-hydroxyethyl)amino]ethanol
SMILESNCCNCCO.OCCN(CCO)CCO
InChIInChI=1S/C6H15NO3.C4H12N2O/c8-4-1-7(2-5-9)3-6-10;5-1-2-6-3-4-7/h8-10H,1-6H2;6-7H,1-5H2
InChIKeyWFPZIINOVNWKHW-UHFFFAOYSA-N
MW253.34 g/mol
LogP-3.21
Rot. Bonds10

About 2-(2-aminoethylamino)ethanol;2-[bis(2-hydroxyethyl)amino]ethanol

2-(2-aminoethylamino)ethanol;2-[bis(2-hydroxyethyl)amino]ethanol (PubChem CID 161491174) has the molecular formula C10H27N3O4 and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-(2-aminoethylamino)ethanol;2-[bis(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-(2-aminoethylamino)ethanol;2-[bis(2-hydroxyethyl)amino]ethanol
PubChem CID161491174
Molecular FormulaC10H27N3O4
Molecular Weight253.34 g/mol
Exact Mass253.20
IUPAC Name2-(2-aminoethylamino)ethanol;2-[bis(2-hydroxyethyl)amino]ethanol
SMILESNCCNCCO.OCCN(CCO)CCO
InChIInChI=1S/C6H15NO3.C4H12N2O/c8-4-1-7(2-5-9)3-6-10;5-1-2-6-3-4-7/h8-10H,1-6H2;6-7H,1-5H2
InChIKeyWFPZIINOVNWKHW-UHFFFAOYSA-N
XLogP-3.21
TPSA122.21 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.34
LogP ≤ 5-3.21
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tris(2-(2-aminoethylamino)ethanol);titanium
CID 172707183
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;2-(2-hydroxyethylamino)ethanol
CID 19827531
2-[3-[2-[3-[bis(2-hydroxyethyl)amino]propyl-(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]propylamino]ethanol
CID 168932712
2-[3-(2-aminoethylamino)propyl-ethylamino]ethanol
CID 143093735
2-[3-[3-[bis(2-hydroxyethyl)amino]propylamino]propyl-(2-hydroxyethyl)amino]ethanol;trihydrofluoride
CID 173445075
acetic acid;2-[2-[2-aminoethyl(2-hydroxyethyl)amino]ethylamino]ethanol
CID 173116618
2-[2-[2-aminoethyl-[2-(hydroxymethylamino)ethyl]amino]ethylamino]ethanol;propane
CID 90906484
2-[bis(3-aminopropyl)amino]ethanol
CID 19359070
2-[ethyl(2-hydroxyethyl)amino]ethanol;2-(2-hydroxyethylamino)ethanol
CID 159800308
2-(2-aminoethylamino)ethanol;phosphoric acid
CID 88523857
2-(2-aminoethylamino)ethanol;2-(methylamino)ethanol
CID 88701366
tris(2-(2-aminoethylamino)ethanol);propan-2-ol;titanium
CID 76711756

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylamino)ethanol;2-[bis(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-(2-aminoethylamino)ethanol;2-[bis(2-hydroxyethyl)amino]ethanol (CID 161491174) is 2-(2-aminoethylamino)ethanol;2-[bis(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-(2-aminoethylamino)ethanol;2-[bis(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-(2-aminoethylamino)ethanol;2-[bis(2-hydroxyethyl)amino]ethanol is NCCNCCO.OCCN(CCO)CCO.
What is the InChIKey of 2-(2-aminoethylamino)ethanol;2-[bis(2-hydroxyethyl)amino]ethanol?
The InChIKey is WFPZIINOVNWKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO3.C4H12N2O/c8-4-1-7(2-5-9)3-6-10;5-1-2-6-3-4-7/h8-10H,1-6H2;6-7H,1-5H2.
What are the key properties of 2-(2-aminoethylamino)ethanol;2-[bis(2-hydroxyethyl)amino]ethanol?
2-(2-aminoethylamino)ethanol;2-[bis(2-hydroxyethyl)amino]ethanol has a molecular weight of 253.34 g/mol, XLogP of -3.21, 10 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylamino)ethanol;2-[bis(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 161491174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).