1,2-bis(2-hydroxyethylamino)ethane-1,2-diol

C6H16N2O4 — CID 59800336

IUPAC1,2-bis(2-hydroxyethylamino)ethane-1,2-diol
SMILESOCCNC(O)C(O)NCCO
InChIInChI=1S/C6H16N2O4/c9-3-1-7-5(11)6(12)8-2-4-10/h5-12H,1-4H2
InChIKeyZPBLYJVOJPOXME-UHFFFAOYSA-N
MW180.20 g/mol
LogP-3.21
Rot. Bonds7

About 1,2-bis(2-hydroxyethylamino)ethane-1,2-diol

1,2-bis(2-hydroxyethylamino)ethane-1,2-diol (PubChem CID 59800336) has the molecular formula C6H16N2O4 and a molecular weight of 180.20 g/mol. Its IUPAC name is 1,2-bis(2-hydroxyethylamino)ethane-1,2-diol.

Molecular Properties

Compound Name1,2-bis(2-hydroxyethylamino)ethane-1,2-diol
PubChem CID59800336
Molecular FormulaC6H16N2O4
Molecular Weight180.20 g/mol
Exact Mass180.11
IUPAC Name1,2-bis(2-hydroxyethylamino)ethane-1,2-diol
SMILESOCCNC(O)C(O)NCCO
InChIInChI=1S/C6H16N2O4/c9-3-1-7-5(11)6(12)8-2-4-10/h5-12H,1-4H2
InChIKeyZPBLYJVOJPOXME-UHFFFAOYSA-N
XLogP-3.21
TPSA104.98 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500180.20
LogP ≤ 5-3.21
H-Bond Donors ≤ 56
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

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CID 156780277
1,1,3,3-tetrakis(2-hydroxyethylamino)propan-2-ol
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2-(2-hydroxyethylamino)pentane-1,5-diol
CID 87894926
(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
(2S)-2-(2-hydroxyethylamino)propanamide
CID 93033472
2-(diisocyanatomethylamino)ethanol
CID 175049667
2-[[(3S)-hexan-3-yl]amino]ethanol
CID 27254970
2-[[(3R)-hexan-3-yl]amino]ethanol
CID 27254966
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2-(6-methylheptan-2-ylamino)ethanol
CID 61469768

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(2-hydroxyethylamino)ethane-1,2-diol?
The IUPAC name of 1,2-bis(2-hydroxyethylamino)ethane-1,2-diol (CID 59800336) is 1,2-bis(2-hydroxyethylamino)ethane-1,2-diol.
What is the SMILES notation for 1,2-bis(2-hydroxyethylamino)ethane-1,2-diol?
The canonical SMILES for 1,2-bis(2-hydroxyethylamino)ethane-1,2-diol is OCCNC(O)C(O)NCCO.
What is the InChIKey of 1,2-bis(2-hydroxyethylamino)ethane-1,2-diol?
The InChIKey is ZPBLYJVOJPOXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O4/c9-3-1-7-5(11)6(12)8-2-4-10/h5-12H,1-4H2.
What are the key properties of 1,2-bis(2-hydroxyethylamino)ethane-1,2-diol?
1,2-bis(2-hydroxyethylamino)ethane-1,2-diol has a molecular weight of 180.20 g/mol, XLogP of -3.21, 7 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(2-hydroxyethylamino)ethane-1,2-diol is sourced from PubChem (CID 59800336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).