bis(2,2-dimorpholin-4-ylethyl) carbonate;dihydrochloride

C21H40Cl2N4O7 — CID 67573551

IUPACbis(2,2-dimorpholin-4-ylethyl) carbonate;dihydrochloride
SMILESCl.Cl.O=C(OCC(N1CCOCC1)N1CCOCC1)OCC(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C21H38N4O7.2ClH/c26-21(31-17-19(22-1-9-27-10-2-22)23-3-11-28-12-4-23)32-18-20(24-5-13-29-14-6-24)25-7-15-30-16-8-25;;/h19-20H,1-18H2;2*1H
InChIKeyQNXPZSPCVNGMIV-UHFFFAOYSA-N
MW531.48 g/mol
LogP-0.04
Rot. Bonds8

About bis(2,2-dimorpholin-4-ylethyl) carbonate;dihydrochloride

bis(2,2-dimorpholin-4-ylethyl) carbonate;dihydrochloride (PubChem CID 67573551) has the molecular formula C21H40Cl2N4O7 and a molecular weight of 531.48 g/mol. Its IUPAC name is bis(2,2-dimorpholin-4-ylethyl) carbonate;dihydrochloride.

Molecular Properties

Compound Namebis(2,2-dimorpholin-4-ylethyl) carbonate;dihydrochloride
PubChem CID67573551
Molecular FormulaC21H40Cl2N4O7
Molecular Weight531.48 g/mol
Exact Mass530.23
IUPAC Namebis(2,2-dimorpholin-4-ylethyl) carbonate;dihydrochloride
SMILESCl.Cl.O=C(OCC(N1CCOCC1)N1CCOCC1)OCC(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C21H38N4O7.2ClH/c26-21(31-17-19(22-1-9-27-10-2-22)23-3-11-28-12-4-23)32-18-20(24-5-13-29-14-6-24)25-7-15-30-16-8-25;;/h19-20H,1-18H2;2*1H
InChIKeyQNXPZSPCVNGMIV-UHFFFAOYSA-N
XLogP-0.04
TPSA85.41 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.48
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze bis(2,2-dimorpholin-4-ylethyl) carbonate;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(2,2-dimorpholin-4-ylethyl) carbonate;dihydrochloride?
The IUPAC name of bis(2,2-dimorpholin-4-ylethyl) carbonate;dihydrochloride (CID 67573551) is bis(2,2-dimorpholin-4-ylethyl) carbonate;dihydrochloride.
What is the SMILES notation for bis(2,2-dimorpholin-4-ylethyl) carbonate;dihydrochloride?
The canonical SMILES for bis(2,2-dimorpholin-4-ylethyl) carbonate;dihydrochloride is Cl.Cl.O=C(OCC(N1CCOCC1)N1CCOCC1)OCC(N1CCOCC1)N1CCOCC1.
What is the InChIKey of bis(2,2-dimorpholin-4-ylethyl) carbonate;dihydrochloride?
The InChIKey is QNXPZSPCVNGMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N4O7.2ClH/c26-21(31-17-19(22-1-9-27-10-2-22)23-3-11-28-12-4-23)32-18-20(24-5-13-29-14-6-24)25-7-15-30-16-8-25;;/h19-20H,1-18H2;2*1H.
What are the key properties of bis(2,2-dimorpholin-4-ylethyl) carbonate;dihydrochloride?
bis(2,2-dimorpholin-4-ylethyl) carbonate;dihydrochloride has a molecular weight of 531.48 g/mol, XLogP of -0.04, 8 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2-dimorpholin-4-ylethyl) carbonate;dihydrochloride is sourced from PubChem (CID 67573551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).