4-[2-[2,2-bis(2,6-dimethylmorpholin-4-yl)ethoxy]-1-(2,6-dimethylmorpholin-4-yl)ethyl]-2,6-dimethylmorpholine

C28H54N4O5 — CID 57132775

IUPAC4-[2-[2,2-bis(2,6-dimethylmorpholin-4-yl)ethoxy]-1-(2,6-dimethylmorpholin-4-yl)ethyl]-2,6-dimethylmorpholine
SMILESCC1CN(C(COCC(N2CC(C)OC(C)C2)N2CC(C)OC(C)C2)N2CC(C)OC(C)C2)CC(C)O1
InChIInChI=1S/C28H54N4O5/c1-19-9-29(10-20(2)34-19)27(30-11-21(3)35-22(4)12-30)17-33-18-28(31-13-23(5)36-24(6)14-31)32-15-25(7)37-26(8)16-32/h19-28H,9-18H2,1-8H3
InChIKeyFNGRPFPRGGRGMQ-UHFFFAOYSA-N
MW526.76 g/mol
LogP2.09
Rot. Bonds8

About 4-[2-[2,2-bis(2,6-dimethylmorpholin-4-yl)ethoxy]-1-(2,6-dimethylmorpholin-4-yl)ethyl]-2,6-dimethylmorpholine

4-[2-[2,2-bis(2,6-dimethylmorpholin-4-yl)ethoxy]-1-(2,6-dimethylmorpholin-4-yl)ethyl]-2,6-dimethylmorpholine (PubChem CID 57132775) has the molecular formula C28H54N4O5 and a molecular weight of 526.76 g/mol. Its IUPAC name is 4-[2-[2,2-bis(2,6-dimethylmorpholin-4-yl)ethoxy]-1-(2,6-dimethylmorpholin-4-yl)ethyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-[2-[2,2-bis(2,6-dimethylmorpholin-4-yl)ethoxy]-1-(2,6-dimethylmorpholin-4-yl)ethyl]-2,6-dimethylmorpholine
PubChem CID57132775
Molecular FormulaC28H54N4O5
Molecular Weight526.76 g/mol
Exact Mass526.41
IUPAC Name4-[2-[2,2-bis(2,6-dimethylmorpholin-4-yl)ethoxy]-1-(2,6-dimethylmorpholin-4-yl)ethyl]-2,6-dimethylmorpholine
SMILESCC1CN(C(COCC(N2CC(C)OC(C)C2)N2CC(C)OC(C)C2)N2CC(C)OC(C)C2)CC(C)O1
InChIInChI=1S/C28H54N4O5/c1-19-9-29(10-20(2)34-19)27(30-11-21(3)35-22(4)12-30)17-33-18-28(31-13-23(5)36-24(6)14-31)32-15-25(7)37-26(8)16-32/h19-28H,9-18H2,1-8H3
InChIKeyFNGRPFPRGGRGMQ-UHFFFAOYSA-N
XLogP2.09
TPSA59.11 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.76
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

1,3,5-Tris[3-(morpholin-4-yl)propyl]-1,3,5-triazinane
CID 225897
4-[1,2,2-Tris(morpholin-4-yl)ethenyl]morpholine
CID 23317607
4-(1,1,4,4,4-Pentamorpholin-4-ylbut-2-ynyl)morpholine
CID 134875668
1,3,5-Tris[4-(morpholin-4-yl)butyl]-1,3,5-triazinane
CID 350167
4-[1-[1,1-Bis(2,2-dimethylmorpholin-4-yl)ethoxy]-1-(2,2-dimethylmorpholin-4-yl)ethyl]-2,2-dimethylmorpholine
CID 18462804
1,3,5-Tris[2-(morpholin-4-yl)ethyl]-1,3,5-triazinane
CID 20041922
1-morpholin-4-yl-N,N-bis(1-morpholin-4-ylpropyl)propan-1-amine
CID 20504828
4-[1-(1,1-Dimorpholin-4-ylethoxy)-1-morpholin-4-ylethyl]morpholine
CID 22183031
4-[1-[1,1-Bis(2,6-dimethylmorpholin-4-yl)ethoxy]-1-(2,6-dimethylmorpholin-4-yl)ethyl]-2,6-dimethylmorpholine
CID 22400957
4-[2-(2,2-Dimorpholin-4-ylethoxy)-1-morpholin-4-ylethyl]morpholine
CID 22595264
4-[2-[1-(2,6-Dimethylmorpholin-4-yl)-4-morpholin-4-ylbutan-2-yl]oxy-4-morpholin-4-ylbutyl]-2,6-dimethylmorpholine
CID 57183345
4-[2-[3-(2-Morpholin-4-ylethyl)-5-(2-piperidin-1-ylethyl)-1,3,5-triazinan-1-yl]ethyl]morpholine
CID 59307204

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2,2-bis(2,6-dimethylmorpholin-4-yl)ethoxy]-1-(2,6-dimethylmorpholin-4-yl)ethyl]-2,6-dimethylmorpholine?
The IUPAC name of 4-[2-[2,2-bis(2,6-dimethylmorpholin-4-yl)ethoxy]-1-(2,6-dimethylmorpholin-4-yl)ethyl]-2,6-dimethylmorpholine (CID 57132775) is 4-[2-[2,2-bis(2,6-dimethylmorpholin-4-yl)ethoxy]-1-(2,6-dimethylmorpholin-4-yl)ethyl]-2,6-dimethylmorpholine.
What is the SMILES notation for 4-[2-[2,2-bis(2,6-dimethylmorpholin-4-yl)ethoxy]-1-(2,6-dimethylmorpholin-4-yl)ethyl]-2,6-dimethylmorpholine?
The canonical SMILES for 4-[2-[2,2-bis(2,6-dimethylmorpholin-4-yl)ethoxy]-1-(2,6-dimethylmorpholin-4-yl)ethyl]-2,6-dimethylmorpholine is CC1CN(C(COCC(N2CC(C)OC(C)C2)N2CC(C)OC(C)C2)N2CC(C)OC(C)C2)CC(C)O1.
What is the InChIKey of 4-[2-[2,2-bis(2,6-dimethylmorpholin-4-yl)ethoxy]-1-(2,6-dimethylmorpholin-4-yl)ethyl]-2,6-dimethylmorpholine?
The InChIKey is FNGRPFPRGGRGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H54N4O5/c1-19-9-29(10-20(2)34-19)27(30-11-21(3)35-22(4)12-30)17-33-18-28(31-13-23(5)36-24(6)14-31)32-15-25(7)37-26(8)16-32/h19-28H,9-18H2,1-8H3.
What are the key properties of 4-[2-[2,2-bis(2,6-dimethylmorpholin-4-yl)ethoxy]-1-(2,6-dimethylmorpholin-4-yl)ethyl]-2,6-dimethylmorpholine?
4-[2-[2,2-bis(2,6-dimethylmorpholin-4-yl)ethoxy]-1-(2,6-dimethylmorpholin-4-yl)ethyl]-2,6-dimethylmorpholine has a molecular weight of 526.76 g/mol, XLogP of 2.09, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2,2-bis(2,6-dimethylmorpholin-4-yl)ethoxy]-1-(2,6-dimethylmorpholin-4-yl)ethyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 57132775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).