3-[2-(2-hydroxyethoxy)ethylamino]-2-methylpropane-1,2-diol

C8H19NO4 — CID 66186020

IUPAC3-[2-(2-hydroxyethoxy)ethylamino]-2-methylpropane-1,2-diol
SMILESCC(O)(CO)CNCCOCCO
InChIInChI=1S/C8H19NO4/c1-8(12,7-11)6-9-2-4-13-5-3-10/h9-12H,2-7H2,1H3
InChIKeyMLBRVELSPCLVLA-UHFFFAOYSA-N
MW193.24 g/mol
LogP-1.67
Rot. Bonds8

About 3-[2-(2-hydroxyethoxy)ethylamino]-2-methylpropane-1,2-diol

3-[2-(2-hydroxyethoxy)ethylamino]-2-methylpropane-1,2-diol (PubChem CID 66186020) has the molecular formula C8H19NO4 and a molecular weight of 193.24 g/mol. Its IUPAC name is 3-[2-(2-hydroxyethoxy)ethylamino]-2-methylpropane-1,2-diol.

Molecular Properties

Compound Name3-[2-(2-hydroxyethoxy)ethylamino]-2-methylpropane-1,2-diol
PubChem CID66186020
Molecular FormulaC8H19NO4
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name3-[2-(2-hydroxyethoxy)ethylamino]-2-methylpropane-1,2-diol
SMILESCC(O)(CO)CNCCOCCO
InChIInChI=1S/C8H19NO4/c1-8(12,7-11)6-9-2-4-13-5-3-10/h9-12H,2-7H2,1H3
InChIKeyMLBRVELSPCLVLA-UHFFFAOYSA-N
XLogP-1.67
TPSA81.95 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 5-1.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-2-methylpropane-1,2-diol
CID 113426999
2-methyl-3-[2-(3-methylbutoxy)ethylamino]propane-1,2-diol
CID 66187180
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139594890
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139594464
2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethanol
CID 123132110
3-[(3-hydroxy-3-methylbutyl)amino]-2-methylpropane-1,2-diol
CID 79355887
1-(2-ethoxyethylamino)-2-methyl-3-methylsulfanylpropan-2-ol
CID 106247153
3-[2-(tert-butylamino)ethylamino]-2-methylpropane-1,2-diol
CID 107445809
3-[(3-methoxy-3-methylbutyl)amino]-2-methylpropane-1,2-diol
CID 103033421
2-hydroxy-3-[3-(2-hydroxyethoxy)propylamino]-2-methylpropanoic acid
CID 106305482
1-(dimethylamino)-3-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-2-methylpropan-2-ol
CID 106147594
2-[2-[2-[2-[2-[2-(propylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 156860733

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-hydroxyethoxy)ethylamino]-2-methylpropane-1,2-diol?
The IUPAC name of 3-[2-(2-hydroxyethoxy)ethylamino]-2-methylpropane-1,2-diol (CID 66186020) is 3-[2-(2-hydroxyethoxy)ethylamino]-2-methylpropane-1,2-diol.
What is the SMILES notation for 3-[2-(2-hydroxyethoxy)ethylamino]-2-methylpropane-1,2-diol?
The canonical SMILES for 3-[2-(2-hydroxyethoxy)ethylamino]-2-methylpropane-1,2-diol is CC(O)(CO)CNCCOCCO.
What is the InChIKey of 3-[2-(2-hydroxyethoxy)ethylamino]-2-methylpropane-1,2-diol?
The InChIKey is MLBRVELSPCLVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO4/c1-8(12,7-11)6-9-2-4-13-5-3-10/h9-12H,2-7H2,1H3.
What are the key properties of 3-[2-(2-hydroxyethoxy)ethylamino]-2-methylpropane-1,2-diol?
3-[2-(2-hydroxyethoxy)ethylamino]-2-methylpropane-1,2-diol has a molecular weight of 193.24 g/mol, XLogP of -1.67, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-hydroxyethoxy)ethylamino]-2-methylpropane-1,2-diol is sourced from PubChem (CID 66186020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).