2-[bis(2-hydroxyethyl)amino]ethanol;2-[2-[bis(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]ethanol;2-[2-hydroxyethyl(propyl)amino]-2-(hydroxymethyl)propane-1,3-diol

C25H60N4O11 — CID 158594075

IUPAC2-[bis(2-hydroxyethyl)amino]ethanol;2-[2-[bis(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]ethanol;2-[2-hydroxyethyl(propyl)amino]-2-(hydroxymethyl)propane-1,3-diol
SMILESCCCN(CCO)C(CO)(CO)CO.OCCN(CCO)CCN(CCO)CCO.OCCN(CCO)CCO
InChIInChI=1S/C10H24N2O4.C9H21NO4.C6H15NO3/c13-7-3-11(4-8-14)1-2-12(5-9-15)6-10-16;1-2-3-10(4-5-11)9(6-12,7-13)8-14;8-4-1-7(2-5-9)3-6-10/h13-16H,1-10H2;11-14H,2-8H2,1H3;8-10H,1-6H2
InChIKeyHUUMLAQMDDIYLV-UHFFFAOYSA-N
MW592.77 g/mol
LogP-5.77
Rot. Bonds25

About 2-[bis(2-hydroxyethyl)amino]ethanol;2-[2-[bis(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]ethanol;2-[2-hydroxyethyl(propyl)amino]-2-(hydroxymethyl)propane-1,3-diol

2-[bis(2-hydroxyethyl)amino]ethanol;2-[2-[bis(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]ethanol;2-[2-hydroxyethyl(propyl)amino]-2-(hydroxymethyl)propane-1,3-diol (PubChem CID 158594075) has the molecular formula C25H60N4O11 and a molecular weight of 592.77 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethyl)amino]ethanol;2-[2-[bis(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]ethanol;2-[2-hydroxyethyl(propyl)amino]-2-(hydroxymethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-[bis(2-hydroxyethyl)amino]ethanol;2-[2-[bis(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]ethanol;2-[2-hydroxyethyl(propyl)amino]-2-(hydroxymethyl)propane-1,3-diol
PubChem CID158594075
Molecular FormulaC25H60N4O11
Molecular Weight592.77 g/mol
Exact Mass592.43
IUPAC Name2-[bis(2-hydroxyethyl)amino]ethanol;2-[2-[bis(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]ethanol;2-[2-hydroxyethyl(propyl)amino]-2-(hydroxymethyl)propane-1,3-diol
SMILESCCCN(CCO)C(CO)(CO)CO.OCCN(CCO)CCN(CCO)CCO.OCCN(CCO)CCO
InChIInChI=1S/C10H24N2O4.C9H21NO4.C6H15NO3/c13-7-3-11(4-8-14)1-2-12(5-9-15)6-10-16;1-2-3-10(4-5-11)9(6-12,7-13)8-14;8-4-1-7(2-5-9)3-6-10/h13-16H,1-10H2;11-14H,2-8H2,1H3;8-10H,1-6H2
InChIKeyHUUMLAQMDDIYLV-UHFFFAOYSA-N
XLogP-5.77
TPSA235.49 Ų
H-Bond Donors11
H-Bond Acceptors15
Rotatable Bonds25
Heavy Atoms40
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500592.77
LogP ≤ 5-5.77
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1015

Analyze 2-[bis(2-hydroxyethyl)amino]ethanol;2-[2-[bis(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]ethanol;2-[2-hydroxyethyl(propyl)amino]-2-(hydroxymethyl)propane-1,3-diol with MolForge

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Related Compounds

2-[butyl(2-hydroxyethyl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 156729767
2-[bis(2-hydroxyethyl)amino]ethanol;propane
CID 160839946
2-[2-[bis[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-(2-hydroxyethyl)amino]ethoxy]-propylsilyl]oxyethyl-(2-hydroxyethyl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 156729819
2-[(3-bromo-2,2-dimethylpropyl)-propylamino]ethanol
CID 64999932
2-[bis[2-(diethylamino)ethyl]amino]ethanol
CID 154212558
2-[2-[2-[bis(2-hydroxyethyl)amino]ethyl-ethylamino]ethyl-(2-hydroxyethyl)amino]ethanol
CID 139832318
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-propylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 126494722
2-[ethyl(2-hydroxyethyl)amino]ethanol;2-[ethyl(propyl)amino]ethanol
CID 161297591
2-[butyl(2-hydroxyethyl)amino]ethanol
CID 23103220
2-[2-chloroethyl(propyl)amino]ethanol
CID 61425253
2-[bis(2-hydroxyethyl)amino]ethanol;ethanamine
CID 160554975
N,N-dipropylpropan-1-amine;propan-1-ol;hydrochloride
CID 173448711

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-hydroxyethyl)amino]ethanol;2-[2-[bis(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]ethanol;2-[2-hydroxyethyl(propyl)amino]-2-(hydroxymethyl)propane-1,3-diol?
The IUPAC name of 2-[bis(2-hydroxyethyl)amino]ethanol;2-[2-[bis(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]ethanol;2-[2-hydroxyethyl(propyl)amino]-2-(hydroxymethyl)propane-1,3-diol (CID 158594075) is 2-[bis(2-hydroxyethyl)amino]ethanol;2-[2-[bis(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]ethanol;2-[2-hydroxyethyl(propyl)amino]-2-(hydroxymethyl)propane-1,3-diol.
What is the SMILES notation for 2-[bis(2-hydroxyethyl)amino]ethanol;2-[2-[bis(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]ethanol;2-[2-hydroxyethyl(propyl)amino]-2-(hydroxymethyl)propane-1,3-diol?
The canonical SMILES for 2-[bis(2-hydroxyethyl)amino]ethanol;2-[2-[bis(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]ethanol;2-[2-hydroxyethyl(propyl)amino]-2-(hydroxymethyl)propane-1,3-diol is CCCN(CCO)C(CO)(CO)CO.OCCN(CCO)CCN(CCO)CCO.OCCN(CCO)CCO.
What is the InChIKey of 2-[bis(2-hydroxyethyl)amino]ethanol;2-[2-[bis(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]ethanol;2-[2-hydroxyethyl(propyl)amino]-2-(hydroxymethyl)propane-1,3-diol?
The InChIKey is HUUMLAQMDDIYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O4.C9H21NO4.C6H15NO3/c13-7-3-11(4-8-14)1-2-12(5-9-15)6-10-16;1-2-3-10(4-5-11)9(6-12,7-13)8-14;8-4-1-7(2-5-9)3-6-10/h13-16H,1-10H2;11-14H,2-8H2,1H3;8-10H,1-6H2.
What are the key properties of 2-[bis(2-hydroxyethyl)amino]ethanol;2-[2-[bis(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]ethanol;2-[2-hydroxyethyl(propyl)amino]-2-(hydroxymethyl)propane-1,3-diol?
2-[bis(2-hydroxyethyl)amino]ethanol;2-[2-[bis(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]ethanol;2-[2-hydroxyethyl(propyl)amino]-2-(hydroxymethyl)propane-1,3-diol has a molecular weight of 592.77 g/mol, XLogP of -5.77, 25 rotatable bonds, 11 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-hydroxyethyl)amino]ethanol;2-[2-[bis(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]ethanol;2-[2-hydroxyethyl(propyl)amino]-2-(hydroxymethyl)propane-1,3-diol is sourced from PubChem (CID 158594075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).