3-[bis(2-methoxyethyl)amino]propane-1,2-diol

C9H21NO4 — CID 78907099

IUPAC3-[bis(2-methoxyethyl)amino]propane-1,2-diol
SMILESCOCCN(CCOC)CC(O)CO
InChIInChI=1S/C9H21NO4/c1-13-5-3-10(4-6-14-2)7-9(12)8-11/h9,11-12H,3-8H2,1-2H3
InChIKeyORPOSTUEIMMBGE-UHFFFAOYSA-N
MW207.27 g/mol
LogP-1.07
Rot. Bonds9

About 3-[bis(2-methoxyethyl)amino]propane-1,2-diol

3-[bis(2-methoxyethyl)amino]propane-1,2-diol (PubChem CID 78907099) has the molecular formula C9H21NO4 and a molecular weight of 207.27 g/mol. Its IUPAC name is 3-[bis(2-methoxyethyl)amino]propane-1,2-diol.

Molecular Properties

Compound Name3-[bis(2-methoxyethyl)amino]propane-1,2-diol
PubChem CID78907099
Molecular FormulaC9H21NO4
Molecular Weight207.27 g/mol
Exact Mass207.15
IUPAC Name3-[bis(2-methoxyethyl)amino]propane-1,2-diol
SMILESCOCCN(CCOC)CC(O)CO
InChIInChI=1S/C9H21NO4/c1-13-5-3-10(4-6-14-2)7-9(12)8-11/h9,11-12H,3-8H2,1-2H3
InChIKeyORPOSTUEIMMBGE-UHFFFAOYSA-N
XLogP-1.07
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[bis(2-methoxyethyl)amino]-3-(methylamino)propan-2-ol
CID 61418429
1-[bis(2-methoxyethyl)amino]propan-2-ol
CID 59693413
(2R,3S)-4-[2-methoxyethyl-[(2S,3R)-2,3,4-trihydroxybutyl]amino]butane-1,2,3-triol
CID 122500925
(2R)-1-[bis(2-methoxyethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 95357959
1-[bis(2-methoxyethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 60635415
1-[bis(2-methoxyethyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991830
3-[2-methoxyethyl(thiophen-2-ylmethyl)amino]propane-1,2-diol
CID 46995993
2-hydroxy-3-[2-hydroxyethyl(2-methoxyethyl)amino]propane-1-sulfonic acid
CID 89246913
3-[2-hydroxyethyl(2-methoxyethyl)amino]-2-methylpropan-1-ol
CID 115872995
1-[bis(2-methoxyethyl)amino]-3-butoxypropan-2-ol
CID 107263774
1-(2-methoxyethoxy)-3-[2-methoxyethyl(3-methoxypropyl)amino]propan-2-ol
CID 106991901
1-amino-3-[ethyl(2-methoxyethyl)amino]propan-2-ol
CID 61447893

Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-methoxyethyl)amino]propane-1,2-diol?
The IUPAC name of 3-[bis(2-methoxyethyl)amino]propane-1,2-diol (CID 78907099) is 3-[bis(2-methoxyethyl)amino]propane-1,2-diol.
What is the SMILES notation for 3-[bis(2-methoxyethyl)amino]propane-1,2-diol?
The canonical SMILES for 3-[bis(2-methoxyethyl)amino]propane-1,2-diol is COCCN(CCOC)CC(O)CO.
What is the InChIKey of 3-[bis(2-methoxyethyl)amino]propane-1,2-diol?
The InChIKey is ORPOSTUEIMMBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO4/c1-13-5-3-10(4-6-14-2)7-9(12)8-11/h9,11-12H,3-8H2,1-2H3.
What are the key properties of 3-[bis(2-methoxyethyl)amino]propane-1,2-diol?
3-[bis(2-methoxyethyl)amino]propane-1,2-diol has a molecular weight of 207.27 g/mol, XLogP of -1.07, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-methoxyethyl)amino]propane-1,2-diol is sourced from PubChem (CID 78907099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).