1,1,3,3-tetrakis(2-hydroxyethylamino)propan-2-ol

C11H28N4O5 — CID 90097181

IUPAC1,1,3,3-tetrakis(2-hydroxyethylamino)propan-2-ol
SMILESOCCNC(NCCO)C(O)C(NCCO)NCCO
InChIInChI=1S/C11H28N4O5/c16-5-1-12-10(13-2-6-17)9(20)11(14-3-7-18)15-4-8-19/h9-20H,1-8H2
InChIKeyCZTUGOJXUWKZLP-UHFFFAOYSA-N
MW296.37 g/mol
LogP-4.67
Rot. Bonds14

About 1,1,3,3-tetrakis(2-hydroxyethylamino)propan-2-ol

1,1,3,3-tetrakis(2-hydroxyethylamino)propan-2-ol (PubChem CID 90097181) has the molecular formula C11H28N4O5 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1,1,3,3-tetrakis(2-hydroxyethylamino)propan-2-ol.

Molecular Properties

Compound Name1,1,3,3-tetrakis(2-hydroxyethylamino)propan-2-ol
PubChem CID90097181
Molecular FormulaC11H28N4O5
Molecular Weight296.37 g/mol
Exact Mass296.21
IUPAC Name1,1,3,3-tetrakis(2-hydroxyethylamino)propan-2-ol
SMILESOCCNC(NCCO)C(O)C(NCCO)NCCO
InChIInChI=1S/C11H28N4O5/c16-5-1-12-10(13-2-6-17)9(20)11(14-3-7-18)15-4-8-19/h9-20H,1-8H2
InChIKeyCZTUGOJXUWKZLP-UHFFFAOYSA-N
XLogP-4.67
TPSA149.27 Ų
H-Bond Donors9
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.37
LogP ≤ 5-4.67
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

1,2-bis(2-hydroxyethylamino)ethane-1,2-diol
CID 59800336
1-(2-hydroxyethylamino)propane-1,2,3-triol
CID 156780277
2-(2-hydroxyethylamino)pentane-1,5-diol
CID 87894926
2-(methylamino)ethanol;nobelium
CID 59962769
dichlorozirconium;2-(methylamino)ethanol
CID 174434300
2-(2-hydroxyethylamino)hexadecan-1-ol
CID 87123579
(2S)-3-hydroxy-2-(2-hydroxyethylamino)propanoic acid
CID 54359256
3,3,3-trifluoro-2-(2-hydroxyethylamino)propan-1-ol
CID 138511068
2-(2-hydroxyethylamino)but-3-en-1-ol
CID 19018089
2-[1-(4-propan-2-yloxyphenyl)ethylamino]ethanol
CID 43151137
methane;2-(methylamino)ethanol
CID 158004537
2-(methylamino)ethanol;platinum
CID 174353574

Frequently Asked Questions

What is the IUPAC name of 1,1,3,3-tetrakis(2-hydroxyethylamino)propan-2-ol?
The IUPAC name of 1,1,3,3-tetrakis(2-hydroxyethylamino)propan-2-ol (CID 90097181) is 1,1,3,3-tetrakis(2-hydroxyethylamino)propan-2-ol.
What is the SMILES notation for 1,1,3,3-tetrakis(2-hydroxyethylamino)propan-2-ol?
The canonical SMILES for 1,1,3,3-tetrakis(2-hydroxyethylamino)propan-2-ol is OCCNC(NCCO)C(O)C(NCCO)NCCO.
What is the InChIKey of 1,1,3,3-tetrakis(2-hydroxyethylamino)propan-2-ol?
The InChIKey is CZTUGOJXUWKZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H28N4O5/c16-5-1-12-10(13-2-6-17)9(20)11(14-3-7-18)15-4-8-19/h9-20H,1-8H2.
What are the key properties of 1,1,3,3-tetrakis(2-hydroxyethylamino)propan-2-ol?
1,1,3,3-tetrakis(2-hydroxyethylamino)propan-2-ol has a molecular weight of 296.37 g/mol, XLogP of -4.67, 14 rotatable bonds, 9 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetrakis(2-hydroxyethylamino)propan-2-ol is sourced from PubChem (CID 90097181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).