3-[2-(methylamino)ethoxy]propane-1,2-diol

C6H15NO3 — CID 21326757

IUPAC3-[2-(methylamino)ethoxy]propane-1,2-diol
SMILESCNCCOCC(O)CO
InChIInChI=1S/C6H15NO3/c1-7-2-3-10-5-6(9)4-8/h6-9H,2-5H2,1H3
InChIKeyDSOFPHUTYFKPMI-UHFFFAOYSA-N
MW149.19 g/mol
LogP-1.42
Rot. Bonds6

About 3-[2-(methylamino)ethoxy]propane-1,2-diol

3-[2-(methylamino)ethoxy]propane-1,2-diol (PubChem CID 21326757) has the molecular formula C6H15NO3 and a molecular weight of 149.19 g/mol. Its IUPAC name is 3-[2-(methylamino)ethoxy]propane-1,2-diol.

Molecular Properties

Compound Name3-[2-(methylamino)ethoxy]propane-1,2-diol
PubChem CID21326757
Molecular FormulaC6H15NO3
Molecular Weight149.19 g/mol
Exact Mass149.11
IUPAC Name3-[2-(methylamino)ethoxy]propane-1,2-diol
SMILESCNCCOCC(O)CO
InChIInChI=1S/C6H15NO3/c1-7-2-3-10-5-6(9)4-8/h6-9H,2-5H2,1H3
InChIKeyDSOFPHUTYFKPMI-UHFFFAOYSA-N
XLogP-1.42
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 5-1.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(methylamino)ethoxy]propane-1,2-diol?
The IUPAC name of 3-[2-(methylamino)ethoxy]propane-1,2-diol (CID 21326757) is 3-[2-(methylamino)ethoxy]propane-1,2-diol.
What is the SMILES notation for 3-[2-(methylamino)ethoxy]propane-1,2-diol?
The canonical SMILES for 3-[2-(methylamino)ethoxy]propane-1,2-diol is CNCCOCC(O)CO.
What is the InChIKey of 3-[2-(methylamino)ethoxy]propane-1,2-diol?
The InChIKey is DSOFPHUTYFKPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO3/c1-7-2-3-10-5-6(9)4-8/h6-9H,2-5H2,1H3.
What are the key properties of 3-[2-(methylamino)ethoxy]propane-1,2-diol?
3-[2-(methylamino)ethoxy]propane-1,2-diol has a molecular weight of 149.19 g/mol, XLogP of -1.42, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(methylamino)ethoxy]propane-1,2-diol is sourced from PubChem (CID 21326757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).