bis(2-hydroxyethyl)azanium;[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]azanium;2-hydroxyethylazanium;2-hydroxyethyl(dimethyl)azanium;tris(2-hydroxyethyl)azanium

C20H60N5O10+5 — CID 161327408

IUPACbis(2-hydroxyethyl)azanium;[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]azanium;2-hydroxyethylazanium;2-hydroxyethyl(dimethyl)azanium;tris(2-hydroxyethyl)azanium
SMILESC[NH+](C)CCO.OCC[NH+](CCO)CCO.OCC[NH2+]CCO.[NH3+]C(CO)(CO)CO.[NH3+]CCO
InChIInChI=1S/C6H15NO3.C4H11NO3.C4H11NO2.C4H11NO.C2H7NO/c8-4-1-7(2-5-9)3-6-10;5-4(1-6,2-7)3-8;6-3-1-5-2-4-7;1-5(2)3-4-6;3-1-2-4/h8-10H,1-6H2;6-8H,1-3,5H2;5-7H,1-4H2;6H,3-4H2,1-2H3;4H,1-3H2/p+5
InChIKeyVKYJAOQZLMCIJT-UHFFFAOYSA-S
MW530.73 g/mol
LogP-12.33
Rot. Bonds16

About bis(2-hydroxyethyl)azanium;[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]azanium;2-hydroxyethylazanium;2-hydroxyethyl(dimethyl)azanium;tris(2-hydroxyethyl)azanium

bis(2-hydroxyethyl)azanium;[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]azanium;2-hydroxyethylazanium;2-hydroxyethyl(dimethyl)azanium;tris(2-hydroxyethyl)azanium (PubChem CID 161327408) has the molecular formula C20H60N5O10+5 and a molecular weight of 530.73 g/mol. Its IUPAC name is bis(2-hydroxyethyl)azanium;[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]azanium;2-hydroxyethylazanium;2-hydroxyethyl(dimethyl)azanium;tris(2-hydroxyethyl)azanium.

Molecular Properties

Compound Namebis(2-hydroxyethyl)azanium;[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]azanium;2-hydroxyethylazanium;2-hydroxyethyl(dimethyl)azanium;tris(2-hydroxyethyl)azanium
PubChem CID161327408
Molecular FormulaC20H60N5O10+5
Molecular Weight530.73 g/mol
Exact Mass530.43
IUPAC Namebis(2-hydroxyethyl)azanium;[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]azanium;2-hydroxyethylazanium;2-hydroxyethyl(dimethyl)azanium;tris(2-hydroxyethyl)azanium
SMILESC[NH+](C)CCO.OCC[NH+](CCO)CCO.OCC[NH2+]CCO.[NH3+]C(CO)(CO)CO.[NH3+]CCO
InChIInChI=1S/C6H15NO3.C4H11NO3.C4H11NO2.C4H11NO.C2H7NO/c8-4-1-7(2-5-9)3-6-10;5-4(1-6,2-7)3-8;6-3-1-5-2-4-7;1-5(2)3-4-6;3-1-2-4/h8-10H,1-6H2;6-8H,1-3,5H2;5-7H,1-4H2;6H,3-4H2,1-2H3;4H,1-3H2/p+5
InChIKeyVKYJAOQZLMCIJT-UHFFFAOYSA-S
XLogP-12.33
TPSA283.07 Ų
H-Bond Donors15
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.73
LogP ≤ 5-12.33
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

azanide;bis(2-hydroxyethyl(dimethyl)azanium)
CID 140518381
2-hydroxyethylazanium;trimethylazanium;dichloride
CID 172796747
tris(2-hydroxyethyl)azanium iodide
CID 87105413
azanium bis(2-hydroxyethyl)azanium
CID 18521410
CID 22991878
CID 22991878
bis(2-hydroxyethyl)azanium;bromide;chloride
CID 87517996
2-hydroxyethyl(dimethyl)azanium formate
CID 87203804
2-hydroxyethyl(dimethyl)azanium acetate
CID 22140086
hydrogen carbonate;2-hydroxyethyl(dimethyl)azanium
CID 87203500
dibutyl(2-hydroxyethyl)azanium
CID 18920823
propyl-bis[2-(propylazaniumyl)ethyl]azanium
CID 7244692
bis(2-hydroxyethyl)azanium nitrite
CID 87299481

Frequently Asked Questions

What is the IUPAC name of bis(2-hydroxyethyl)azanium;[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]azanium;2-hydroxyethylazanium;2-hydroxyethyl(dimethyl)azanium;tris(2-hydroxyethyl)azanium?
The IUPAC name of bis(2-hydroxyethyl)azanium;[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]azanium;2-hydroxyethylazanium;2-hydroxyethyl(dimethyl)azanium;tris(2-hydroxyethyl)azanium (CID 161327408) is bis(2-hydroxyethyl)azanium;[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]azanium;2-hydroxyethylazanium;2-hydroxyethyl(dimethyl)azanium;tris(2-hydroxyethyl)azanium.
What is the SMILES notation for bis(2-hydroxyethyl)azanium;[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]azanium;2-hydroxyethylazanium;2-hydroxyethyl(dimethyl)azanium;tris(2-hydroxyethyl)azanium?
The canonical SMILES for bis(2-hydroxyethyl)azanium;[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]azanium;2-hydroxyethylazanium;2-hydroxyethyl(dimethyl)azanium;tris(2-hydroxyethyl)azanium is C[NH+](C)CCO.OCC[NH+](CCO)CCO.OCC[NH2+]CCO.[NH3+]C(CO)(CO)CO.[NH3+]CCO.
What is the InChIKey of bis(2-hydroxyethyl)azanium;[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]azanium;2-hydroxyethylazanium;2-hydroxyethyl(dimethyl)azanium;tris(2-hydroxyethyl)azanium?
The InChIKey is VKYJAOQZLMCIJT-UHFFFAOYSA-S. The full InChI is InChI=1S/C6H15NO3.C4H11NO3.C4H11NO2.C4H11NO.C2H7NO/c8-4-1-7(2-5-9)3-6-10;5-4(1-6,2-7)3-8;6-3-1-5-2-4-7;1-5(2)3-4-6;3-1-2-4/h8-10H,1-6H2;6-8H,1-3,5H2;5-7H,1-4H2;6H,3-4H2,1-2H3;4H,1-3H2/p+5.
What are the key properties of bis(2-hydroxyethyl)azanium;[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]azanium;2-hydroxyethylazanium;2-hydroxyethyl(dimethyl)azanium;tris(2-hydroxyethyl)azanium?
bis(2-hydroxyethyl)azanium;[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]azanium;2-hydroxyethylazanium;2-hydroxyethyl(dimethyl)azanium;tris(2-hydroxyethyl)azanium has a molecular weight of 530.73 g/mol, XLogP of -12.33, 16 rotatable bonds, 15 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-hydroxyethyl)azanium;[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]azanium;2-hydroxyethylazanium;2-hydroxyethyl(dimethyl)azanium;tris(2-hydroxyethyl)azanium is sourced from PubChem (CID 161327408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).