(5R)-2,5-diethyl-4-methylmorpholine;(3R)-3-ethyl-2,4-dimethylmorpholine;(3R)-3-ethyl-3,4-dimethylmorpholine;(3R)-3-ethyl-4,5-dimethylmorpholine;(5R)-5-ethyl-2,4-dimethylmorpholine;(3R)-3-ethyl-4-methylmorpholine

C48H102N6O6 — CID 157142618

IUPAC(5R)-2,5-diethyl-4-methylmorpholine;(3R)-3-ethyl-2,4-dimethylmorpholine;(3R)-3-ethyl-3,4-dimethylmorpholine;(3R)-3-ethyl-4,5-dimethylmorpholine;(5R)-5-ethyl-2,4-dimethylmorpholine;(3R)-3-ethyl-4-methylmorpholine
SMILESCCC1CN(C)[C@H](CC)CO1.CC[C@@H]1C(C)OCCN1C.CC[C@@H]1COC(C)CN1C.CC[C@@H]1COCC(C)N1C.CC[C@@H]1COCCN1C.CC[C@]1(C)COCCN1C
InChIInChI=1S/C9H19NO.4C8H17NO.C7H15NO/c1-4-8-7-11-9(5-2)6-10(8)3;1-4-8-6-10-5-7(2)9(8)3;1-4-8-6-10-7(2)5-9(8)3;1-4-8(2)7-10-6-5-9(8)3;1-4-8-7(2)10-6-5-9(8)3;1-3-7-6-9-5-4-8(7)2/h8-9H,4-7H2,1-3H3;2*7-8H,4-6H2,1-3H3;4-7H2,1-3H3;7-8H,4-6H2,1-3H3;7H,3-6H2,1-2H3/t8-,9?;2*7?,8-;8-;7?,8-;7-/m111111/s1
InChIKeyAKIYZQCZEQIDJF-AEEHHRFJSA-N
MW859.38 g/mol
LogP6.70
Rot. Bonds7

About (5R)-2,5-diethyl-4-methylmorpholine;(3R)-3-ethyl-2,4-dimethylmorpholine;(3R)-3-ethyl-3,4-dimethylmorpholine;(3R)-3-ethyl-4,5-dimethylmorpholine;(5R)-5-ethyl-2,4-dimethylmorpholine;(3R)-3-ethyl-4-methylmorpholine

(5R)-2,5-diethyl-4-methylmorpholine;(3R)-3-ethyl-2,4-dimethylmorpholine;(3R)-3-ethyl-3,4-dimethylmorpholine;(3R)-3-ethyl-4,5-dimethylmorpholine;(5R)-5-ethyl-2,4-dimethylmorpholine;(3R)-3-ethyl-4-methylmorpholine (PubChem CID 157142618) has the molecular formula C48H102N6O6 and a molecular weight of 859.38 g/mol. Its IUPAC name is (5R)-2,5-diethyl-4-methylmorpholine;(3R)-3-ethyl-2,4-dimethylmorpholine;(3R)-3-ethyl-3,4-dimethylmorpholine;(3R)-3-ethyl-4,5-dimethylmorpholine;(5R)-5-ethyl-2,4-dimethylmorpholine;(3R)-3-ethyl-4-methylmorpholine.

Molecular Properties

Compound Name(5R)-2,5-diethyl-4-methylmorpholine;(3R)-3-ethyl-2,4-dimethylmorpholine;(3R)-3-ethyl-3,4-dimethylmorpholine;(3R)-3-ethyl-4,5-dimethylmorpholine;(5R)-5-ethyl-2,4-dimethylmorpholine;(3R)-3-ethyl-4-methylmorpholine
PubChem CID157142618
Molecular FormulaC48H102N6O6
Molecular Weight859.38 g/mol
Exact Mass858.79
IUPAC Name(5R)-2,5-diethyl-4-methylmorpholine;(3R)-3-ethyl-2,4-dimethylmorpholine;(3R)-3-ethyl-3,4-dimethylmorpholine;(3R)-3-ethyl-4,5-dimethylmorpholine;(5R)-5-ethyl-2,4-dimethylmorpholine;(3R)-3-ethyl-4-methylmorpholine
SMILESCCC1CN(C)[C@H](CC)CO1.CC[C@@H]1C(C)OCCN1C.CC[C@@H]1COC(C)CN1C.CC[C@@H]1COCC(C)N1C.CC[C@@H]1COCCN1C.CC[C@]1(C)COCCN1C
InChIInChI=1S/C9H19NO.4C8H17NO.C7H15NO/c1-4-8-7-11-9(5-2)6-10(8)3;1-4-8-6-10-5-7(2)9(8)3;1-4-8-6-10-7(2)5-9(8)3;1-4-8(2)7-10-6-5-9(8)3;1-4-8-7(2)10-6-5-9(8)3;1-3-7-6-9-5-4-8(7)2/h8-9H,4-7H2,1-3H3;2*7-8H,4-6H2,1-3H3;4-7H2,1-3H3;7-8H,4-6H2,1-3H3;7H,3-6H2,1-2H3/t8-,9?;2*7?,8-;8-;7?,8-;7-/m111111/s1
InChIKeyAKIYZQCZEQIDJF-AEEHHRFJSA-N
XLogP6.70
TPSA74.82 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500859.38
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze (5R)-2,5-diethyl-4-methylmorpholine;(3R)-3-ethyl-2,4-dimethylmorpholine;(3R)-3-ethyl-3,4-dimethylmorpholine;(3R)-3-ethyl-4,5-dimethylmorpholine;(5R)-5-ethyl-2,4-dimethylmorpholine;(3R)-3-ethyl-4-methylmorpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5R)-2,5-diethyl-4-methylmorpholine;(3R)-3-ethyl-2,4-dimethylmorpholine;(3R)-3-ethyl-3,4-dimethylmorpholine;(3R)-3-ethyl-4,5-dimethylmorpholine;(5R)-5-ethyl-2,4-dimethylmorpholine;(3R)-3-ethyl-4-methylmorpholine?
The IUPAC name of (5R)-2,5-diethyl-4-methylmorpholine;(3R)-3-ethyl-2,4-dimethylmorpholine;(3R)-3-ethyl-3,4-dimethylmorpholine;(3R)-3-ethyl-4,5-dimethylmorpholine;(5R)-5-ethyl-2,4-dimethylmorpholine;(3R)-3-ethyl-4-methylmorpholine (CID 157142618) is (5R)-2,5-diethyl-4-methylmorpholine;(3R)-3-ethyl-2,4-dimethylmorpholine;(3R)-3-ethyl-3,4-dimethylmorpholine;(3R)-3-ethyl-4,5-dimethylmorpholine;(5R)-5-ethyl-2,4-dimethylmorpholine;(3R)-3-ethyl-4-methylmorpholine.
What is the SMILES notation for (5R)-2,5-diethyl-4-methylmorpholine;(3R)-3-ethyl-2,4-dimethylmorpholine;(3R)-3-ethyl-3,4-dimethylmorpholine;(3R)-3-ethyl-4,5-dimethylmorpholine;(5R)-5-ethyl-2,4-dimethylmorpholine;(3R)-3-ethyl-4-methylmorpholine?
The canonical SMILES for (5R)-2,5-diethyl-4-methylmorpholine;(3R)-3-ethyl-2,4-dimethylmorpholine;(3R)-3-ethyl-3,4-dimethylmorpholine;(3R)-3-ethyl-4,5-dimethylmorpholine;(5R)-5-ethyl-2,4-dimethylmorpholine;(3R)-3-ethyl-4-methylmorpholine is CCC1CN(C)[C@H](CC)CO1.CC[C@@H]1C(C)OCCN1C.CC[C@@H]1COC(C)CN1C.CC[C@@H]1COCC(C)N1C.CC[C@@H]1COCCN1C.CC[C@]1(C)COCCN1C.
What is the InChIKey of (5R)-2,5-diethyl-4-methylmorpholine;(3R)-3-ethyl-2,4-dimethylmorpholine;(3R)-3-ethyl-3,4-dimethylmorpholine;(3R)-3-ethyl-4,5-dimethylmorpholine;(5R)-5-ethyl-2,4-dimethylmorpholine;(3R)-3-ethyl-4-methylmorpholine?
The InChIKey is AKIYZQCZEQIDJF-AEEHHRFJSA-N. The full InChI is InChI=1S/C9H19NO.4C8H17NO.C7H15NO/c1-4-8-7-11-9(5-2)6-10(8)3;1-4-8-6-10-5-7(2)9(8)3;1-4-8-6-10-7(2)5-9(8)3;1-4-8(2)7-10-6-5-9(8)3;1-4-8-7(2)10-6-5-9(8)3;1-3-7-6-9-5-4-8(7)2/h8-9H,4-7H2,1-3H3;2*7-8H,4-6H2,1-3H3;4-7H2,1-3H3;7-8H,4-6H2,1-3H3;7H,3-6H2,1-2H3/t8-,9?;2*7?,8-;8-;7?,8-;7-/m111111/s1.
What are the key properties of (5R)-2,5-diethyl-4-methylmorpholine;(3R)-3-ethyl-2,4-dimethylmorpholine;(3R)-3-ethyl-3,4-dimethylmorpholine;(3R)-3-ethyl-4,5-dimethylmorpholine;(5R)-5-ethyl-2,4-dimethylmorpholine;(3R)-3-ethyl-4-methylmorpholine?
(5R)-2,5-diethyl-4-methylmorpholine;(3R)-3-ethyl-2,4-dimethylmorpholine;(3R)-3-ethyl-3,4-dimethylmorpholine;(3R)-3-ethyl-4,5-dimethylmorpholine;(5R)-5-ethyl-2,4-dimethylmorpholine;(3R)-3-ethyl-4-methylmorpholine has a molecular weight of 859.38 g/mol, XLogP of 6.70, 7 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2,5-diethyl-4-methylmorpholine;(3R)-3-ethyl-2,4-dimethylmorpholine;(3R)-3-ethyl-3,4-dimethylmorpholine;(3R)-3-ethyl-4,5-dimethylmorpholine;(5R)-5-ethyl-2,4-dimethylmorpholine;(3R)-3-ethyl-4-methylmorpholine is sourced from PubChem (CID 157142618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).