1,1-dimorpholin-4-ylethyl hydrogen carbonate;dihydrochloride

C11H22Cl2N2O5 — CID 67573550

IUPAC1,1-dimorpholin-4-ylethyl hydrogen carbonate;dihydrochloride
SMILESCC(OC(=O)O)(N1CCOCC1)N1CCOCC1.Cl.Cl
InChIInChI=1S/C11H20N2O5.2ClH/c1-11(18-10(14)15,12-2-6-16-7-3-12)13-4-8-17-9-5-13;;/h2-9H2,1H3,(H,14,15);2*1H
InChIKeyCIVBGLZNGFODBJ-UHFFFAOYSA-N
MW333.21 g/mol
LogP0.86
Rot. Bonds3

About 1,1-dimorpholin-4-ylethyl hydrogen carbonate;dihydrochloride

1,1-dimorpholin-4-ylethyl hydrogen carbonate;dihydrochloride (PubChem CID 67573550) has the molecular formula C11H22Cl2N2O5 and a molecular weight of 333.21 g/mol. Its IUPAC name is 1,1-dimorpholin-4-ylethyl hydrogen carbonate;dihydrochloride.

Molecular Properties

Compound Name1,1-dimorpholin-4-ylethyl hydrogen carbonate;dihydrochloride
PubChem CID67573550
Molecular FormulaC11H22Cl2N2O5
Molecular Weight333.21 g/mol
Exact Mass332.09
IUPAC Name1,1-dimorpholin-4-ylethyl hydrogen carbonate;dihydrochloride
SMILESCC(OC(=O)O)(N1CCOCC1)N1CCOCC1.Cl.Cl
InChIInChI=1S/C11H20N2O5.2ClH/c1-11(18-10(14)15,12-2-6-16-7-3-12)13-4-8-17-9-5-13;;/h2-9H2,1H3,(H,14,15);2*1H
InChIKeyCIVBGLZNGFODBJ-UHFFFAOYSA-N
XLogP0.86
TPSA71.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.21
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimorpholin-4-ylethyl hydrogen carbonate;dihydrochloride?
The IUPAC name of 1,1-dimorpholin-4-ylethyl hydrogen carbonate;dihydrochloride (CID 67573550) is 1,1-dimorpholin-4-ylethyl hydrogen carbonate;dihydrochloride.
What is the SMILES notation for 1,1-dimorpholin-4-ylethyl hydrogen carbonate;dihydrochloride?
The canonical SMILES for 1,1-dimorpholin-4-ylethyl hydrogen carbonate;dihydrochloride is CC(OC(=O)O)(N1CCOCC1)N1CCOCC1.Cl.Cl.
What is the InChIKey of 1,1-dimorpholin-4-ylethyl hydrogen carbonate;dihydrochloride?
The InChIKey is CIVBGLZNGFODBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5.2ClH/c1-11(18-10(14)15,12-2-6-16-7-3-12)13-4-8-17-9-5-13;;/h2-9H2,1H3,(H,14,15);2*1H.
What are the key properties of 1,1-dimorpholin-4-ylethyl hydrogen carbonate;dihydrochloride?
1,1-dimorpholin-4-ylethyl hydrogen carbonate;dihydrochloride has a molecular weight of 333.21 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimorpholin-4-ylethyl hydrogen carbonate;dihydrochloride is sourced from PubChem (CID 67573550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).