4-[1-[2-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylbutoxy]-4-morpholin-4-ylbutan-2-yl]-2,6-dimethylmorpholine

C28H54N4O5 — CID 67566570

IUPAC4-[1-[2-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylbutoxy]-4-morpholin-4-ylbutan-2-yl]-2,6-dimethylmorpholine
SMILESCC1CN(C(CCN2CCOCC2)COCC(CCN2CCOCC2)N2CC(C)OC(C)C2)CC(C)O1
InChIInChI=1S/C28H54N4O5/c1-23-17-31(18-24(2)36-23)27(5-7-29-9-13-33-14-10-29)21-35-22-28(6-8-30-11-15-34-16-12-30)32-19-25(3)37-26(4)20-32/h23-28H,5-22H2,1-4H3
InChIKeyIJIOUJDTYRYCDT-UHFFFAOYSA-N
MW526.76 g/mol
LogP1.40
Rot. Bonds12

About 4-[1-[2-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylbutoxy]-4-morpholin-4-ylbutan-2-yl]-2,6-dimethylmorpholine

4-[1-[2-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylbutoxy]-4-morpholin-4-ylbutan-2-yl]-2,6-dimethylmorpholine (PubChem CID 67566570) has the molecular formula C28H54N4O5 and a molecular weight of 526.76 g/mol. Its IUPAC name is 4-[1-[2-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylbutoxy]-4-morpholin-4-ylbutan-2-yl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-[1-[2-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylbutoxy]-4-morpholin-4-ylbutan-2-yl]-2,6-dimethylmorpholine
PubChem CID67566570
Molecular FormulaC28H54N4O5
Molecular Weight526.76 g/mol
Exact Mass526.41
IUPAC Name4-[1-[2-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylbutoxy]-4-morpholin-4-ylbutan-2-yl]-2,6-dimethylmorpholine
SMILESCC1CN(C(CCN2CCOCC2)COCC(CCN2CCOCC2)N2CC(C)OC(C)C2)CC(C)O1
InChIInChI=1S/C28H54N4O5/c1-23-17-31(18-24(2)36-23)27(5-7-29-9-13-33-14-10-29)21-35-22-28(6-8-30-11-15-34-16-12-30)32-19-25(3)37-26(4)20-32/h23-28H,5-22H2,1-4H3
InChIKeyIJIOUJDTYRYCDT-UHFFFAOYSA-N
XLogP1.40
TPSA59.11 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.76
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-[1-[2-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylbutoxy]-4-morpholin-4-ylbutan-2-yl]-2,6-dimethylmorpholine with MolForge

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Launch Full Analysis

Related Compounds

4-[2-(2,3-Dimorpholin-4-ylpentan-2-yloxy)-2-morpholin-4-ylpentan-3-yl]morpholine
CID 54294580
4-[2-[1-(2,6-Dimethylmorpholin-4-yl)-4-morpholin-4-ylbutan-2-yl]oxy-4-morpholin-4-ylbutyl]-2,6-dimethylmorpholine
CID 57183345
2-Ethyl-4-[2-[1-(2-ethylmorpholin-4-yl)-2-morpholin-4-ylpropan-2-yl]oxy-2-morpholin-4-ylpropyl]morpholine
CID 70019533
2-(1-Morpholin-4-ylethyl)-4-[2-[2-[2-(1-morpholin-4-ylethyl)morpholin-4-yl]propan-2-yloxy]propan-2-yl]morpholine
CID 70019537
4-[2-(2,5-Dimorpholin-4-ylpentan-2-yloxy)-5-morpholin-4-ylpentan-2-yl]morpholine
CID 70019539
(2R)-2,4-dimethyl-6-[[(2S)-4-methyl-5-[[(3S)-4-methylmorpholin-3-yl]methoxymethyl]morpholin-2-yl]methyl]morpholine
CID 137453929
4-Ethyl-5-(4-ethylmorpholin-2-yl)-2-(4-ethylmorpholin-3-yl)morpholine
CID 142078392
Ethane;4-(1-methylpiperidin-4-yl)morpholine;1-methyl-4-piperidin-1-ylpiperidine
CID 145138835
(2R,6S)-2-ethyl-6-methyl-4-(1-methylpiperidin-4-yl)morpholine;4-(1-methylpiperidin-4-yl)morpholine
CID 145162347
4-[(3S)-1-methylpiperidin-3-yl]-2-[2-(4-morpholin-4-ylpiperidin-1-yl)propyl]morpholine
CID 156186238
2,6-Dimethyl-4-propan-2-ylmorpholine;3,5-dimethyl-4-propan-2-ylmorpholine;2,3,5-trimethyl-4-propan-2-ylmorpholine;2,3,6-trimethyl-4-propan-2-ylmorpholine
CID 158016713
(2S)-2,4-dimethylmorpholine;(2R)-1,2-dimethylpiperidine;1-methylpiperidine;(2R,6S)-2,4,6-trimethylmorpholine
CID 158090732

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylbutoxy]-4-morpholin-4-ylbutan-2-yl]-2,6-dimethylmorpholine?
The IUPAC name of 4-[1-[2-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylbutoxy]-4-morpholin-4-ylbutan-2-yl]-2,6-dimethylmorpholine (CID 67566570) is 4-[1-[2-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylbutoxy]-4-morpholin-4-ylbutan-2-yl]-2,6-dimethylmorpholine.
What is the SMILES notation for 4-[1-[2-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylbutoxy]-4-morpholin-4-ylbutan-2-yl]-2,6-dimethylmorpholine?
The canonical SMILES for 4-[1-[2-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylbutoxy]-4-morpholin-4-ylbutan-2-yl]-2,6-dimethylmorpholine is CC1CN(C(CCN2CCOCC2)COCC(CCN2CCOCC2)N2CC(C)OC(C)C2)CC(C)O1.
What is the InChIKey of 4-[1-[2-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylbutoxy]-4-morpholin-4-ylbutan-2-yl]-2,6-dimethylmorpholine?
The InChIKey is IJIOUJDTYRYCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H54N4O5/c1-23-17-31(18-24(2)36-23)27(5-7-29-9-13-33-14-10-29)21-35-22-28(6-8-30-11-15-34-16-12-30)32-19-25(3)37-26(4)20-32/h23-28H,5-22H2,1-4H3.
What are the key properties of 4-[1-[2-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylbutoxy]-4-morpholin-4-ylbutan-2-yl]-2,6-dimethylmorpholine?
4-[1-[2-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylbutoxy]-4-morpholin-4-ylbutan-2-yl]-2,6-dimethylmorpholine has a molecular weight of 526.76 g/mol, XLogP of 1.40, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylbutoxy]-4-morpholin-4-ylbutan-2-yl]-2,6-dimethylmorpholine is sourced from PubChem (CID 67566570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).