1-[(2S,6R)-2-ethyl-6-propan-2-ylmorpholin-4-yl]ethanimine

C11H22N2O — CID 166718405

IUPAC1-[(2S,6R)-2-ethyl-6-propan-2-ylmorpholin-4-yl]ethanimine
SMILES[H]/N=C(\C)N1C[C@H](CC)O[C@H](C(C)C)C1
InChIInChI=1S/C11H22N2O/c1-5-10-6-13(9(4)12)7-11(14-10)8(2)3/h8,10-12H,5-7H2,1-4H3/b12-9+/t10-,11-/m0/s1
InChIKeyBMNUAUFFZVXNST-MBTLQNOZSA-N
MW198.31 g/mol
LogP2.12
Rot. Bonds2

About 1-[(2S,6R)-2-ethyl-6-propan-2-ylmorpholin-4-yl]ethanimine

1-[(2S,6R)-2-ethyl-6-propan-2-ylmorpholin-4-yl]ethanimine (PubChem CID 166718405) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-[(2S,6R)-2-ethyl-6-propan-2-ylmorpholin-4-yl]ethanimine.

Molecular Properties

Compound Name1-[(2S,6R)-2-ethyl-6-propan-2-ylmorpholin-4-yl]ethanimine
PubChem CID166718405
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-[(2S,6R)-2-ethyl-6-propan-2-ylmorpholin-4-yl]ethanimine
SMILES[H]/N=C(\C)N1C[C@H](CC)O[C@H](C(C)C)C1
InChIInChI=1S/C11H22N2O/c1-5-10-6-13(9(4)12)7-11(14-10)8(2)3/h8,10-12H,5-7H2,1-4H3/b12-9+/t10-,11-/m0/s1
InChIKeyBMNUAUFFZVXNST-MBTLQNOZSA-N
XLogP2.12
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S,6R)-2-ethyl-6-propan-2-ylmorpholin-4-yl]ethanimine?
The IUPAC name of 1-[(2S,6R)-2-ethyl-6-propan-2-ylmorpholin-4-yl]ethanimine (CID 166718405) is 1-[(2S,6R)-2-ethyl-6-propan-2-ylmorpholin-4-yl]ethanimine.
What is the SMILES notation for 1-[(2S,6R)-2-ethyl-6-propan-2-ylmorpholin-4-yl]ethanimine?
The canonical SMILES for 1-[(2S,6R)-2-ethyl-6-propan-2-ylmorpholin-4-yl]ethanimine is [H]/N=C(\C)N1C[C@H](CC)O[C@H](C(C)C)C1.
What is the InChIKey of 1-[(2S,6R)-2-ethyl-6-propan-2-ylmorpholin-4-yl]ethanimine?
The InChIKey is BMNUAUFFZVXNST-MBTLQNOZSA-N. The full InChI is InChI=1S/C11H22N2O/c1-5-10-6-13(9(4)12)7-11(14-10)8(2)3/h8,10-12H,5-7H2,1-4H3/b12-9+/t10-,11-/m0/s1.
What are the key properties of 1-[(2S,6R)-2-ethyl-6-propan-2-ylmorpholin-4-yl]ethanimine?
1-[(2S,6R)-2-ethyl-6-propan-2-ylmorpholin-4-yl]ethanimine has a molecular weight of 198.31 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,6R)-2-ethyl-6-propan-2-ylmorpholin-4-yl]ethanimine is sourced from PubChem (CID 166718405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).