(2R,6R)-2-methyl-6-[[(5R)-5-[[(5S)-5-methyl-4-propan-2-ylmorpholin-3-yl]methyl]-4-propan-2-ylmorpholin-2-yl]methyl]-4-propan-2-ylmorpholine

C25H49N3O3 — CID 126513906

IUPAC(2R,6R)-2-methyl-6-[[(5R)-5-[[(5S)-5-methyl-4-propan-2-ylmorpholin-3-yl]methyl]-4-propan-2-ylmorpholin-2-yl]methyl]-4-propan-2-ylmorpholine
SMILESCC(C)N1C[C@@H](CC2CN(C(C)C)[C@H](CC3COC[C@H](C)N3C(C)C)CO2)O[C@H](C)C1
InChIInChI=1S/C25H49N3O3/c1-17(2)26-11-21(8)31-25(12-26)10-24-13-27(18(3)4)22(16-30-24)9-23-15-29-14-20(7)28(23)19(5)6/h17-25H,9-16H2,1-8H3/t20-,21+,22+,23?,24?,25+/m0/s1
InChIKeyWGRDKFKQLCZORR-DRAQJDQESA-N
MW439.69 g/mol
LogP3.24
Rot. Bonds7

About (2R,6R)-2-methyl-6-[[(5R)-5-[[(5S)-5-methyl-4-propan-2-ylmorpholin-3-yl]methyl]-4-propan-2-ylmorpholin-2-yl]methyl]-4-propan-2-ylmorpholine

(2R,6R)-2-methyl-6-[[(5R)-5-[[(5S)-5-methyl-4-propan-2-ylmorpholin-3-yl]methyl]-4-propan-2-ylmorpholin-2-yl]methyl]-4-propan-2-ylmorpholine (PubChem CID 126513906) has the molecular formula C25H49N3O3 and a molecular weight of 439.69 g/mol. Its IUPAC name is (2R,6R)-2-methyl-6-[[(5R)-5-[[(5S)-5-methyl-4-propan-2-ylmorpholin-3-yl]methyl]-4-propan-2-ylmorpholin-2-yl]methyl]-4-propan-2-ylmorpholine.

Molecular Properties

Compound Name(2R,6R)-2-methyl-6-[[(5R)-5-[[(5S)-5-methyl-4-propan-2-ylmorpholin-3-yl]methyl]-4-propan-2-ylmorpholin-2-yl]methyl]-4-propan-2-ylmorpholine
PubChem CID126513906
Molecular FormulaC25H49N3O3
Molecular Weight439.69 g/mol
Exact Mass439.38
IUPAC Name(2R,6R)-2-methyl-6-[[(5R)-5-[[(5S)-5-methyl-4-propan-2-ylmorpholin-3-yl]methyl]-4-propan-2-ylmorpholin-2-yl]methyl]-4-propan-2-ylmorpholine
SMILESCC(C)N1C[C@@H](CC2CN(C(C)C)[C@H](CC3COC[C@H](C)N3C(C)C)CO2)O[C@H](C)C1
InChIInChI=1S/C25H49N3O3/c1-17(2)26-11-21(8)31-25(12-26)10-24-13-27(18(3)4)22(16-30-24)9-23-15-29-14-20(7)28(23)19(5)6/h17-25H,9-16H2,1-8H3/t20-,21+,22+,23?,24?,25+/m0/s1
InChIKeyWGRDKFKQLCZORR-DRAQJDQESA-N
XLogP3.24
TPSA37.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.69
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2R,6R)-2-methyl-6-[[(5R)-5-[[(5S)-5-methyl-4-propan-2-ylmorpholin-3-yl]methyl]-4-propan-2-ylmorpholin-2-yl]methyl]-4-propan-2-ylmorpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,6R)-2-methyl-6-[[(5R)-5-[[(5S)-5-methyl-4-propan-2-ylmorpholin-3-yl]methyl]-4-propan-2-ylmorpholin-2-yl]methyl]-4-propan-2-ylmorpholine?
The IUPAC name of (2R,6R)-2-methyl-6-[[(5R)-5-[[(5S)-5-methyl-4-propan-2-ylmorpholin-3-yl]methyl]-4-propan-2-ylmorpholin-2-yl]methyl]-4-propan-2-ylmorpholine (CID 126513906) is (2R,6R)-2-methyl-6-[[(5R)-5-[[(5S)-5-methyl-4-propan-2-ylmorpholin-3-yl]methyl]-4-propan-2-ylmorpholin-2-yl]methyl]-4-propan-2-ylmorpholine.
What is the SMILES notation for (2R,6R)-2-methyl-6-[[(5R)-5-[[(5S)-5-methyl-4-propan-2-ylmorpholin-3-yl]methyl]-4-propan-2-ylmorpholin-2-yl]methyl]-4-propan-2-ylmorpholine?
The canonical SMILES for (2R,6R)-2-methyl-6-[[(5R)-5-[[(5S)-5-methyl-4-propan-2-ylmorpholin-3-yl]methyl]-4-propan-2-ylmorpholin-2-yl]methyl]-4-propan-2-ylmorpholine is CC(C)N1C[C@@H](CC2CN(C(C)C)[C@H](CC3COC[C@H](C)N3C(C)C)CO2)O[C@H](C)C1.
What is the InChIKey of (2R,6R)-2-methyl-6-[[(5R)-5-[[(5S)-5-methyl-4-propan-2-ylmorpholin-3-yl]methyl]-4-propan-2-ylmorpholin-2-yl]methyl]-4-propan-2-ylmorpholine?
The InChIKey is WGRDKFKQLCZORR-DRAQJDQESA-N. The full InChI is InChI=1S/C25H49N3O3/c1-17(2)26-11-21(8)31-25(12-26)10-24-13-27(18(3)4)22(16-30-24)9-23-15-29-14-20(7)28(23)19(5)6/h17-25H,9-16H2,1-8H3/t20-,21+,22+,23?,24?,25+/m0/s1.
What are the key properties of (2R,6R)-2-methyl-6-[[(5R)-5-[[(5S)-5-methyl-4-propan-2-ylmorpholin-3-yl]methyl]-4-propan-2-ylmorpholin-2-yl]methyl]-4-propan-2-ylmorpholine?
(2R,6R)-2-methyl-6-[[(5R)-5-[[(5S)-5-methyl-4-propan-2-ylmorpholin-3-yl]methyl]-4-propan-2-ylmorpholin-2-yl]methyl]-4-propan-2-ylmorpholine has a molecular weight of 439.69 g/mol, XLogP of 3.24, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-2-methyl-6-[[(5R)-5-[[(5S)-5-methyl-4-propan-2-ylmorpholin-3-yl]methyl]-4-propan-2-ylmorpholin-2-yl]methyl]-4-propan-2-ylmorpholine is sourced from PubChem (CID 126513906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).