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

C11H25NO5 — CID 113426999

IUPAC3-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-2-methylpropane-1,2-diol
SMILESCOCCOCCOCCNCC(C)(O)CO
InChIInChI=1S/C11H25NO5/c1-11(14,10-13)9-12-3-4-16-7-8-17-6-5-15-2/h12-14H,3-10H2,1-2H3
InChIKeyPLUXTUIOVSYEHG-UHFFFAOYSA-N
MW251.32 g/mol
LogP-1.00
Rot. Bonds12

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

3-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-2-methylpropane-1,2-diol (PubChem CID 113426999) has the molecular formula C11H25NO5 and a molecular weight of 251.32 g/mol. Its IUPAC name is 3-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-2-methylpropane-1,2-diol.

Molecular Properties

Compound Name3-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-2-methylpropane-1,2-diol
PubChem CID113426999
Molecular FormulaC11H25NO5
Molecular Weight251.32 g/mol
Exact Mass251.17
IUPAC Name3-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-2-methylpropane-1,2-diol
SMILESCOCCOCCOCCNCC(C)(O)CO
InChIInChI=1S/C11H25NO5/c1-11(14,10-13)9-12-3-4-16-7-8-17-6-5-15-2/h12-14H,3-10H2,1-2H3
InChIKeyPLUXTUIOVSYEHG-UHFFFAOYSA-N
XLogP-1.00
TPSA80.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.32
LogP ≤ 5-1.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(2-hydroxyethoxy)ethylamino]-2-methylpropane-1,2-diol
CID 66186020
1-(dimethylamino)-3-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-2-methylpropan-2-ol
CID 106147594
2-methyl-3-[2-(3-methylbutoxy)ethylamino]propane-1,2-diol
CID 66187180
2-[[2-(2-methoxyethoxy)ethylamino]methyl]-2-methylbutan-1-ol
CID 81418619
2,2-difluoro-3-[2-(2-methoxyethoxy)ethylamino]propan-1-ol
CID 106176837
1-(2-methoxyethoxy)-2-methyl-3-(propylamino)propan-2-ol
CID 66335939
4-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-3,3-dimethylbutan-1-ol
CID 106146692
1-[3-(2-methoxyethoxy)propylamino]-2-methylbutan-2-ol
CID 104985809
4-[2-(2-methoxyethoxy)ethylamino]-2-methylbutan-2-ol
CID 79361268
1-[2-(3-methoxypropoxy)ethylamino]-2-methylpentan-2-ol
CID 106292550
1-methoxy-3-(2-methoxyethylamino)-2-methylpropan-2-ol
CID 62774154
1-[2-(3-methoxypropoxy)ethylamino]-2-methylpropan-2-ol
CID 103179086

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-2-methylpropane-1,2-diol?
The IUPAC name of 3-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-2-methylpropane-1,2-diol (CID 113426999) is 3-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-2-methylpropane-1,2-diol.
What is the SMILES notation for 3-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-2-methylpropane-1,2-diol?
The canonical SMILES for 3-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-2-methylpropane-1,2-diol is COCCOCCOCCNCC(C)(O)CO.
What is the InChIKey of 3-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-2-methylpropane-1,2-diol?
The InChIKey is PLUXTUIOVSYEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO5/c1-11(14,10-13)9-12-3-4-16-7-8-17-6-5-15-2/h12-14H,3-10H2,1-2H3.
What are the key properties of 3-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-2-methylpropane-1,2-diol?
3-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-2-methylpropane-1,2-diol has a molecular weight of 251.32 g/mol, XLogP of -1.00, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-2-methylpropane-1,2-diol is sourced from PubChem (CID 113426999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).