4-[2-(2,5-dimorpholin-4-ylpentan-2-yloxy)-5-morpholin-4-ylpentan-2-yl]morpholine

C26H50N4O5 — CID 70019539

IUPAC4-[2-(2,5-dimorpholin-4-ylpentan-2-yloxy)-5-morpholin-4-ylpentan-2-yl]morpholine
SMILESCC(CCCN1CCOCC1)(OC(C)(CCCN1CCOCC1)N1CCOCC1)N1CCOCC1
InChIInChI=1S/C26H50N4O5/c1-25(29-13-21-33-22-14-29,5-3-7-27-9-17-31-18-10-27)35-26(2,30-15-23-34-24-16-30)6-4-8-28-11-19-32-20-12-28/h3-24H2,1-2H3
InChIKeyPBIPGGLMKBATIC-UHFFFAOYSA-N
MW498.71 g/mol
LogP1.32
Rot. Bonds12

About 4-[2-(2,5-dimorpholin-4-ylpentan-2-yloxy)-5-morpholin-4-ylpentan-2-yl]morpholine

4-[2-(2,5-dimorpholin-4-ylpentan-2-yloxy)-5-morpholin-4-ylpentan-2-yl]morpholine (PubChem CID 70019539) has the molecular formula C26H50N4O5 and a molecular weight of 498.71 g/mol. Its IUPAC name is 4-[2-(2,5-dimorpholin-4-ylpentan-2-yloxy)-5-morpholin-4-ylpentan-2-yl]morpholine.

Molecular Properties

Compound Name4-[2-(2,5-dimorpholin-4-ylpentan-2-yloxy)-5-morpholin-4-ylpentan-2-yl]morpholine
PubChem CID70019539
Molecular FormulaC26H50N4O5
Molecular Weight498.71 g/mol
Exact Mass498.38
IUPAC Name4-[2-(2,5-dimorpholin-4-ylpentan-2-yloxy)-5-morpholin-4-ylpentan-2-yl]morpholine
SMILESCC(CCCN1CCOCC1)(OC(C)(CCCN1CCOCC1)N1CCOCC1)N1CCOCC1
InChIInChI=1S/C26H50N4O5/c1-25(29-13-21-33-22-14-29,5-3-7-27-9-17-31-18-10-27)35-26(2,30-15-23-34-24-16-30)6-4-8-28-11-19-32-20-12-28/h3-24H2,1-2H3
InChIKeyPBIPGGLMKBATIC-UHFFFAOYSA-N
XLogP1.32
TPSA59.11 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.71
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,5-dimorpholin-4-ylpentan-2-yloxy)-5-morpholin-4-ylpentan-2-yl]morpholine?
The IUPAC name of 4-[2-(2,5-dimorpholin-4-ylpentan-2-yloxy)-5-morpholin-4-ylpentan-2-yl]morpholine (CID 70019539) is 4-[2-(2,5-dimorpholin-4-ylpentan-2-yloxy)-5-morpholin-4-ylpentan-2-yl]morpholine.
What is the SMILES notation for 4-[2-(2,5-dimorpholin-4-ylpentan-2-yloxy)-5-morpholin-4-ylpentan-2-yl]morpholine?
The canonical SMILES for 4-[2-(2,5-dimorpholin-4-ylpentan-2-yloxy)-5-morpholin-4-ylpentan-2-yl]morpholine is CC(CCCN1CCOCC1)(OC(C)(CCCN1CCOCC1)N1CCOCC1)N1CCOCC1.
What is the InChIKey of 4-[2-(2,5-dimorpholin-4-ylpentan-2-yloxy)-5-morpholin-4-ylpentan-2-yl]morpholine?
The InChIKey is PBIPGGLMKBATIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H50N4O5/c1-25(29-13-21-33-22-14-29,5-3-7-27-9-17-31-18-10-27)35-26(2,30-15-23-34-24-16-30)6-4-8-28-11-19-32-20-12-28/h3-24H2,1-2H3.
What are the key properties of 4-[2-(2,5-dimorpholin-4-ylpentan-2-yloxy)-5-morpholin-4-ylpentan-2-yl]morpholine?
4-[2-(2,5-dimorpholin-4-ylpentan-2-yloxy)-5-morpholin-4-ylpentan-2-yl]morpholine has a molecular weight of 498.71 g/mol, XLogP of 1.32, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,5-dimorpholin-4-ylpentan-2-yloxy)-5-morpholin-4-ylpentan-2-yl]morpholine is sourced from PubChem (CID 70019539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).