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

C28H54N4O5 — CID 18462804

IUPAC4-[1-[1,1-bis(2,2-dimethylmorpholin-4-yl)ethoxy]-1-(2,2-dimethylmorpholin-4-yl)ethyl]-2,2-dimethylmorpholine
SMILESCC1(C)CN(C(C)(OC(C)(N2CCOC(C)(C)C2)N2CCOC(C)(C)C2)N2CCOC(C)(C)C2)CCO1
InChIInChI=1S/C28H54N4O5/c1-23(2)19-29(11-15-33-23)27(9,30-12-16-34-24(3,4)20-30)37-28(10,31-13-17-35-25(5,6)21-31)32-14-18-36-26(7,8)22-32/h11-22H2,1-10H3
InChIKeyIEGMCRSPRIHIKN-UHFFFAOYSA-N
MW526.76 g/mol
LogP2.79
Rot. Bonds6

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

4-[1-[1,1-bis(2,2-dimethylmorpholin-4-yl)ethoxy]-1-(2,2-dimethylmorpholin-4-yl)ethyl]-2,2-dimethylmorpholine (PubChem CID 18462804) has the molecular formula C28H54N4O5 and a molecular weight of 526.76 g/mol. Its IUPAC name is 4-[1-[1,1-bis(2,2-dimethylmorpholin-4-yl)ethoxy]-1-(2,2-dimethylmorpholin-4-yl)ethyl]-2,2-dimethylmorpholine.

Molecular Properties

Compound Name4-[1-[1,1-bis(2,2-dimethylmorpholin-4-yl)ethoxy]-1-(2,2-dimethylmorpholin-4-yl)ethyl]-2,2-dimethylmorpholine
PubChem CID18462804
Molecular FormulaC28H54N4O5
Molecular Weight526.76 g/mol
Exact Mass526.41
IUPAC Name4-[1-[1,1-bis(2,2-dimethylmorpholin-4-yl)ethoxy]-1-(2,2-dimethylmorpholin-4-yl)ethyl]-2,2-dimethylmorpholine
SMILESCC1(C)CN(C(C)(OC(C)(N2CCOC(C)(C)C2)N2CCOC(C)(C)C2)N2CCOC(C)(C)C2)CCO1
InChIInChI=1S/C28H54N4O5/c1-23(2)19-29(11-15-33-23)27(9,30-12-16-34-24(3,4)20-30)37-28(10,31-13-17-35-25(5,6)21-31)32-14-18-36-26(7,8)22-32/h11-22H2,1-10H3
InChIKeyIEGMCRSPRIHIKN-UHFFFAOYSA-N
XLogP2.79
TPSA59.11 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.76
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[1,1-bis(2,2-dimethylmorpholin-4-yl)ethoxy]-1-(2,2-dimethylmorpholin-4-yl)ethyl]-2,2-dimethylmorpholine?
The IUPAC name of 4-[1-[1,1-bis(2,2-dimethylmorpholin-4-yl)ethoxy]-1-(2,2-dimethylmorpholin-4-yl)ethyl]-2,2-dimethylmorpholine (CID 18462804) is 4-[1-[1,1-bis(2,2-dimethylmorpholin-4-yl)ethoxy]-1-(2,2-dimethylmorpholin-4-yl)ethyl]-2,2-dimethylmorpholine.
What is the SMILES notation for 4-[1-[1,1-bis(2,2-dimethylmorpholin-4-yl)ethoxy]-1-(2,2-dimethylmorpholin-4-yl)ethyl]-2,2-dimethylmorpholine?
The canonical SMILES for 4-[1-[1,1-bis(2,2-dimethylmorpholin-4-yl)ethoxy]-1-(2,2-dimethylmorpholin-4-yl)ethyl]-2,2-dimethylmorpholine is CC1(C)CN(C(C)(OC(C)(N2CCOC(C)(C)C2)N2CCOC(C)(C)C2)N2CCOC(C)(C)C2)CCO1.
What is the InChIKey of 4-[1-[1,1-bis(2,2-dimethylmorpholin-4-yl)ethoxy]-1-(2,2-dimethylmorpholin-4-yl)ethyl]-2,2-dimethylmorpholine?
The InChIKey is IEGMCRSPRIHIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H54N4O5/c1-23(2)19-29(11-15-33-23)27(9,30-12-16-34-24(3,4)20-30)37-28(10,31-13-17-35-25(5,6)21-31)32-14-18-36-26(7,8)22-32/h11-22H2,1-10H3.
What are the key properties of 4-[1-[1,1-bis(2,2-dimethylmorpholin-4-yl)ethoxy]-1-(2,2-dimethylmorpholin-4-yl)ethyl]-2,2-dimethylmorpholine?
4-[1-[1,1-bis(2,2-dimethylmorpholin-4-yl)ethoxy]-1-(2,2-dimethylmorpholin-4-yl)ethyl]-2,2-dimethylmorpholine has a molecular weight of 526.76 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[1,1-bis(2,2-dimethylmorpholin-4-yl)ethoxy]-1-(2,2-dimethylmorpholin-4-yl)ethyl]-2,2-dimethylmorpholine is sourced from PubChem (CID 18462804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).