2-[bis(2-hydroxyethyl)amino]ethanol;1-(2-hydroxypropylamino)propan-2-ol

C12H30N2O5 — CID 22218619

IUPAC2-[bis(2-hydroxyethyl)amino]ethanol;1-(2-hydroxypropylamino)propan-2-ol
SMILESCC(O)CNCC(C)O.OCCN(CCO)CCO
InChIInChI=1S/C6H15NO3.C6H15NO2/c8-4-1-7(2-5-9)3-6-10;1-5(8)3-7-4-6(2)9/h8-10H,1-6H2;5-9H,3-4H2,1-2H3
InChIKeyPQLPTXUJTJIXAB-UHFFFAOYSA-N
MW282.38 g/mol
LogP-2.40
Rot. Bonds10

About 2-[bis(2-hydroxyethyl)amino]ethanol;1-(2-hydroxypropylamino)propan-2-ol

2-[bis(2-hydroxyethyl)amino]ethanol;1-(2-hydroxypropylamino)propan-2-ol (PubChem CID 22218619) has the molecular formula C12H30N2O5 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethyl)amino]ethanol;1-(2-hydroxypropylamino)propan-2-ol.

Molecular Properties

Compound Name2-[bis(2-hydroxyethyl)amino]ethanol;1-(2-hydroxypropylamino)propan-2-ol
PubChem CID22218619
Molecular FormulaC12H30N2O5
Molecular Weight282.38 g/mol
Exact Mass282.22
IUPAC Name2-[bis(2-hydroxyethyl)amino]ethanol;1-(2-hydroxypropylamino)propan-2-ol
SMILESCC(O)CNCC(C)O.OCCN(CCO)CCO
InChIInChI=1S/C6H15NO3.C6H15NO2/c8-4-1-7(2-5-9)3-6-10;1-5(8)3-7-4-6(2)9/h8-10H,1-6H2;5-9H,3-4H2,1-2H3
InChIKeyPQLPTXUJTJIXAB-UHFFFAOYSA-N
XLogP-2.40
TPSA116.42 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.38
LogP ≤ 5-2.40
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Analyze 2-[bis(2-hydroxyethyl)amino]ethanol;1-(2-hydroxypropylamino)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(hydroxymethylamino)propan-2-ol
CID 3018672
1-(2-hydroxypropylamino)propan-2-ol;methane
CID 161456696
1-(2-hydroxypropylamino)propan-2-ol;zinc
CID 175137712
(2S)-1-[2-hydroxyethyl-[(2R)-2-hydroxypropyl]amino]propan-2-ol
CID 6950665
(2R)-1-(2-methylpropylamino)propan-2-ol
CID 777887
2-[bis(2-hydroxyethyl)amino]ethanol;hydroxy(oxo)titanium;propan-2-ol
CID 87290757
1-(2-hydroxyethylamino)propan-2-ol;propane
CID 145289862
bis(2-[bis(2-hydroxyethyl)amino]ethanol);hydroxy(oxo)titanium;propan-2-ol
CID 88709706
3-[[[(2R)-2-hydroxypropyl]amino]methyl]pentan-1-ol
CID 106932322
(2S)-1-[ethyl(2-hydroxyethyl)amino]propan-2-ol
CID 106932732
2-[bis(2-hydroxyethyl)amino]ethanol;2-hydroxypropanoic acid;titanium
CID 87438440
2-[bis(2-hydroxyethyl)amino]ethanol;propane
CID 160839946

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-hydroxyethyl)amino]ethanol;1-(2-hydroxypropylamino)propan-2-ol?
The IUPAC name of 2-[bis(2-hydroxyethyl)amino]ethanol;1-(2-hydroxypropylamino)propan-2-ol (CID 22218619) is 2-[bis(2-hydroxyethyl)amino]ethanol;1-(2-hydroxypropylamino)propan-2-ol.
What is the SMILES notation for 2-[bis(2-hydroxyethyl)amino]ethanol;1-(2-hydroxypropylamino)propan-2-ol?
The canonical SMILES for 2-[bis(2-hydroxyethyl)amino]ethanol;1-(2-hydroxypropylamino)propan-2-ol is CC(O)CNCC(C)O.OCCN(CCO)CCO.
What is the InChIKey of 2-[bis(2-hydroxyethyl)amino]ethanol;1-(2-hydroxypropylamino)propan-2-ol?
The InChIKey is PQLPTXUJTJIXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO3.C6H15NO2/c8-4-1-7(2-5-9)3-6-10;1-5(8)3-7-4-6(2)9/h8-10H,1-6H2;5-9H,3-4H2,1-2H3.
What are the key properties of 2-[bis(2-hydroxyethyl)amino]ethanol;1-(2-hydroxypropylamino)propan-2-ol?
2-[bis(2-hydroxyethyl)amino]ethanol;1-(2-hydroxypropylamino)propan-2-ol has a molecular weight of 282.38 g/mol, XLogP of -2.40, 10 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-hydroxyethyl)amino]ethanol;1-(2-hydroxypropylamino)propan-2-ol is sourced from PubChem (CID 22218619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).