1-[1,2-dihydroxyethyl(2-hydroxyethyl)amino]ethane-1,2-diol

C6H15NO5 — CID 175287587

IUPAC1-[1,2-dihydroxyethyl(2-hydroxyethyl)amino]ethane-1,2-diol
SMILESOCCN(C(O)CO)C(O)CO
InChIInChI=1S/C6H15NO5/c8-2-1-7(5(11)3-9)6(12)4-10/h5-6,8-12H,1-4H2
InChIKeyOKHUYDNXGZYXHL-UHFFFAOYSA-N
MW181.19 g/mol
LogP-3.10
Rot. Bonds6

About 1-[1,2-dihydroxyethyl(2-hydroxyethyl)amino]ethane-1,2-diol

1-[1,2-dihydroxyethyl(2-hydroxyethyl)amino]ethane-1,2-diol (PubChem CID 175287587) has the molecular formula C6H15NO5 and a molecular weight of 181.19 g/mol. Its IUPAC name is 1-[1,2-dihydroxyethyl(2-hydroxyethyl)amino]ethane-1,2-diol.

Molecular Properties

Compound Name1-[1,2-dihydroxyethyl(2-hydroxyethyl)amino]ethane-1,2-diol
PubChem CID175287587
Molecular FormulaC6H15NO5
Molecular Weight181.19 g/mol
Exact Mass181.10
IUPAC Name1-[1,2-dihydroxyethyl(2-hydroxyethyl)amino]ethane-1,2-diol
SMILESOCCN(C(O)CO)C(O)CO
InChIInChI=1S/C6H15NO5/c8-2-1-7(5(11)3-9)6(12)4-10/h5-6,8-12H,1-4H2
InChIKeyOKHUYDNXGZYXHL-UHFFFAOYSA-N
XLogP-3.10
TPSA104.39 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-3.10
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[di(propan-2-yl)amino]ethanol;methane
CID 145105271
2-(dimethylamino)ethanol;propane-1,2,3-triol
CID 87640788
1,3-dihydroxy-3-[2-hydroxyethyl-(1-hydroxy-4-methylpentan-2-yl)amino]propane-1-sulfonic acid
CID 167409307
2-[butan-2-yl(pentan-3-yl)amino]ethanol
CID 62016641
1-[bis(2-hydroxyethyl)amino]pentane-1,3,5-triol
CID 87694532
2-[bis(2-hydroxyethyl)amino]-2-bromoethanol
CID 171617183
2-[bis(2-amino-3-methylbutan-2-yl)amino]ethanol
CID 87764605
2-[bis(2-hydroxyethyl)amino]ethanol;methanol;propane-1,2,3-triol;tetramethylazanium;chloride
CID 174356724
3-[bis(1-hydroxyethyl)amino]propan-1-ol
CID 57254428
(2S)-1-[2-hydroxyethyl-[(2R)-2-hydroxypropyl]amino]propan-2-ol
CID 6950665
2-[bis(2-hydroxyethyl)amino]ethanol;silane
CID 173402011
2-[2-hydroxyethyl(methanidyl)amino]ethanol
CID 23545685

Frequently Asked Questions

What is the IUPAC name of 1-[1,2-dihydroxyethyl(2-hydroxyethyl)amino]ethane-1,2-diol?
The IUPAC name of 1-[1,2-dihydroxyethyl(2-hydroxyethyl)amino]ethane-1,2-diol (CID 175287587) is 1-[1,2-dihydroxyethyl(2-hydroxyethyl)amino]ethane-1,2-diol.
What is the SMILES notation for 1-[1,2-dihydroxyethyl(2-hydroxyethyl)amino]ethane-1,2-diol?
The canonical SMILES for 1-[1,2-dihydroxyethyl(2-hydroxyethyl)amino]ethane-1,2-diol is OCCN(C(O)CO)C(O)CO.
What is the InChIKey of 1-[1,2-dihydroxyethyl(2-hydroxyethyl)amino]ethane-1,2-diol?
The InChIKey is OKHUYDNXGZYXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO5/c8-2-1-7(5(11)3-9)6(12)4-10/h5-6,8-12H,1-4H2.
What are the key properties of 1-[1,2-dihydroxyethyl(2-hydroxyethyl)amino]ethane-1,2-diol?
1-[1,2-dihydroxyethyl(2-hydroxyethyl)amino]ethane-1,2-diol has a molecular weight of 181.19 g/mol, XLogP of -3.10, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,2-dihydroxyethyl(2-hydroxyethyl)amino]ethane-1,2-diol is sourced from PubChem (CID 175287587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).