(1R,4R)-5-ethyl-2-oxa-5-azabicyclo[2.2.1]heptane;4-propan-2-ylmorpholine

C14H28N2O2 — CID 178102293

IUPAC(1R,4R)-5-ethyl-2-oxa-5-azabicyclo[2.2.1]heptane;4-propan-2-ylmorpholine
SMILESCC(C)N1CCOCC1.CCN1C[C@H]2C[C@@H]1CO2
InChIInChI=1S/C7H13NO.C7H15NO/c1-2-8-4-7-3-6(8)5-9-7;1-7(2)8-3-5-9-6-4-8/h6-7H,2-5H2,1H3;7H,3-6H2,1-2H3/t6-,7-;/m1./s1
InChIKeyRAORRNYLCROZSM-ZJLYAJKPSA-N
MW256.39 g/mol
LogP1.21
Rot. Bonds2

About (1R,4R)-5-ethyl-2-oxa-5-azabicyclo[2.2.1]heptane;4-propan-2-ylmorpholine

(1R,4R)-5-ethyl-2-oxa-5-azabicyclo[2.2.1]heptane;4-propan-2-ylmorpholine (PubChem CID 178102293) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is (1R,4R)-5-ethyl-2-oxa-5-azabicyclo[2.2.1]heptane;4-propan-2-ylmorpholine.

Molecular Properties

Compound Name(1R,4R)-5-ethyl-2-oxa-5-azabicyclo[2.2.1]heptane;4-propan-2-ylmorpholine
PubChem CID178102293
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name(1R,4R)-5-ethyl-2-oxa-5-azabicyclo[2.2.1]heptane;4-propan-2-ylmorpholine
SMILESCC(C)N1CCOCC1.CCN1C[C@H]2C[C@@H]1CO2
InChIInChI=1S/C7H13NO.C7H15NO/c1-2-8-4-7-3-6(8)5-9-7;1-7(2)8-3-5-9-6-4-8/h6-7H,2-5H2,1H3;7H,3-6H2,1-2H3/t6-,7-;/m1./s1
InChIKeyRAORRNYLCROZSM-ZJLYAJKPSA-N
XLogP1.21
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R,4R)-5-ethyl-2-oxa-5-azabicyclo[2.2.1]heptane;4-propan-2-ylmorpholine?
The IUPAC name of (1R,4R)-5-ethyl-2-oxa-5-azabicyclo[2.2.1]heptane;4-propan-2-ylmorpholine (CID 178102293) is (1R,4R)-5-ethyl-2-oxa-5-azabicyclo[2.2.1]heptane;4-propan-2-ylmorpholine.
What is the SMILES notation for (1R,4R)-5-ethyl-2-oxa-5-azabicyclo[2.2.1]heptane;4-propan-2-ylmorpholine?
The canonical SMILES for (1R,4R)-5-ethyl-2-oxa-5-azabicyclo[2.2.1]heptane;4-propan-2-ylmorpholine is CC(C)N1CCOCC1.CCN1C[C@H]2C[C@@H]1CO2.
What is the InChIKey of (1R,4R)-5-ethyl-2-oxa-5-azabicyclo[2.2.1]heptane;4-propan-2-ylmorpholine?
The InChIKey is RAORRNYLCROZSM-ZJLYAJKPSA-N. The full InChI is InChI=1S/C7H13NO.C7H15NO/c1-2-8-4-7-3-6(8)5-9-7;1-7(2)8-3-5-9-6-4-8/h6-7H,2-5H2,1H3;7H,3-6H2,1-2H3/t6-,7-;/m1./s1.
What are the key properties of (1R,4R)-5-ethyl-2-oxa-5-azabicyclo[2.2.1]heptane;4-propan-2-ylmorpholine?
(1R,4R)-5-ethyl-2-oxa-5-azabicyclo[2.2.1]heptane;4-propan-2-ylmorpholine has a molecular weight of 256.39 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-5-ethyl-2-oxa-5-azabicyclo[2.2.1]heptane;4-propan-2-ylmorpholine is sourced from PubChem (CID 178102293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).