(3S,5S)-3,5-dimethyl-4-[1-[(3R)-3-methyl-4-propan-2-ylmorpholin-2-yl]propan-2-yl]morpholine

C17H34N2O2 — CID 137421883

IUPAC(3S,5S)-3,5-dimethyl-4-[1-[(3R)-3-methyl-4-propan-2-ylmorpholin-2-yl]propan-2-yl]morpholine
SMILESCC(C)N1CCOC(CC(C)N2[C@@H](C)COC[C@@H]2C)[C@H]1C
InChIInChI=1S/C17H34N2O2/c1-12(2)18-7-8-21-17(16(18)6)9-13(3)19-14(4)10-20-11-15(19)5/h12-17H,7-11H2,1-6H3/t13?,14-,15-,16+,17?/m0/s1
InChIKeyHSXADHMZVAMJRH-LHJGCZIBSA-N
MW298.47 g/mol
LogP2.37
Rot. Bonds4

About (3S,5S)-3,5-dimethyl-4-[1-[(3R)-3-methyl-4-propan-2-ylmorpholin-2-yl]propan-2-yl]morpholine

(3S,5S)-3,5-dimethyl-4-[1-[(3R)-3-methyl-4-propan-2-ylmorpholin-2-yl]propan-2-yl]morpholine (PubChem CID 137421883) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is (3S,5S)-3,5-dimethyl-4-[1-[(3R)-3-methyl-4-propan-2-ylmorpholin-2-yl]propan-2-yl]morpholine.

Molecular Properties

Compound Name(3S,5S)-3,5-dimethyl-4-[1-[(3R)-3-methyl-4-propan-2-ylmorpholin-2-yl]propan-2-yl]morpholine
PubChem CID137421883
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Name(3S,5S)-3,5-dimethyl-4-[1-[(3R)-3-methyl-4-propan-2-ylmorpholin-2-yl]propan-2-yl]morpholine
SMILESCC(C)N1CCOC(CC(C)N2[C@@H](C)COC[C@@H]2C)[C@H]1C
InChIInChI=1S/C17H34N2O2/c1-12(2)18-7-8-21-17(16(18)6)9-13(3)19-14(4)10-20-11-15(19)5/h12-17H,7-11H2,1-6H3/t13?,14-,15-,16+,17?/m0/s1
InChIKeyHSXADHMZVAMJRH-LHJGCZIBSA-N
XLogP2.37
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,5S)-3,5-dimethyl-4-[1-[(3R)-3-methyl-4-propan-2-ylmorpholin-2-yl]propan-2-yl]morpholine?
The IUPAC name of (3S,5S)-3,5-dimethyl-4-[1-[(3R)-3-methyl-4-propan-2-ylmorpholin-2-yl]propan-2-yl]morpholine (CID 137421883) is (3S,5S)-3,5-dimethyl-4-[1-[(3R)-3-methyl-4-propan-2-ylmorpholin-2-yl]propan-2-yl]morpholine.
What is the SMILES notation for (3S,5S)-3,5-dimethyl-4-[1-[(3R)-3-methyl-4-propan-2-ylmorpholin-2-yl]propan-2-yl]morpholine?
The canonical SMILES for (3S,5S)-3,5-dimethyl-4-[1-[(3R)-3-methyl-4-propan-2-ylmorpholin-2-yl]propan-2-yl]morpholine is CC(C)N1CCOC(CC(C)N2[C@@H](C)COC[C@@H]2C)[C@H]1C.
What is the InChIKey of (3S,5S)-3,5-dimethyl-4-[1-[(3R)-3-methyl-4-propan-2-ylmorpholin-2-yl]propan-2-yl]morpholine?
The InChIKey is HSXADHMZVAMJRH-LHJGCZIBSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-12(2)18-7-8-21-17(16(18)6)9-13(3)19-14(4)10-20-11-15(19)5/h12-17H,7-11H2,1-6H3/t13?,14-,15-,16+,17?/m0/s1.
What are the key properties of (3S,5S)-3,5-dimethyl-4-[1-[(3R)-3-methyl-4-propan-2-ylmorpholin-2-yl]propan-2-yl]morpholine?
(3S,5S)-3,5-dimethyl-4-[1-[(3R)-3-methyl-4-propan-2-ylmorpholin-2-yl]propan-2-yl]morpholine has a molecular weight of 298.47 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-3,5-dimethyl-4-[1-[(3R)-3-methyl-4-propan-2-ylmorpholin-2-yl]propan-2-yl]morpholine is sourced from PubChem (CID 137421883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).