5-ethyl-2-methylmorpholine-4-carboximidamide

C8H17N3O — CID 61424292

IUPAC5-ethyl-2-methylmorpholine-4-carboximidamide
SMILES[H]/N=C(\N)N1CC(C)OCC1CC
InChIInChI=1S/C8H17N3O/c1-3-7-5-12-6(2)4-11(7)8(9)10/h6-7H,3-5H2,1-2H3,(H3,9,10)
InChIKeyYJKPTPSQJZSBJY-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.38
Rot. Bonds1

About 5-ethyl-2-methylmorpholine-4-carboximidamide

5-ethyl-2-methylmorpholine-4-carboximidamide (PubChem CID 61424292) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 5-ethyl-2-methylmorpholine-4-carboximidamide.

Molecular Properties

Compound Name5-ethyl-2-methylmorpholine-4-carboximidamide
PubChem CID61424292
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name5-ethyl-2-methylmorpholine-4-carboximidamide
SMILES[H]/N=C(\N)N1CC(C)OCC1CC
InChIInChI=1S/C8H17N3O/c1-3-7-5-12-6(2)4-11(7)8(9)10/h6-7H,3-5H2,1-2H3,(H3,9,10)
InChIKeyYJKPTPSQJZSBJY-UHFFFAOYSA-N
XLogP0.38
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.38
H-Bond Donors ≤ 52
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 5-ethyl-2-methylmorpholine-4-carboximidamide?
The IUPAC name of 5-ethyl-2-methylmorpholine-4-carboximidamide (CID 61424292) is 5-ethyl-2-methylmorpholine-4-carboximidamide.
What is the SMILES notation for 5-ethyl-2-methylmorpholine-4-carboximidamide?
The canonical SMILES for 5-ethyl-2-methylmorpholine-4-carboximidamide is [H]/N=C(\N)N1CC(C)OCC1CC.
What is the InChIKey of 5-ethyl-2-methylmorpholine-4-carboximidamide?
The InChIKey is YJKPTPSQJZSBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-3-7-5-12-6(2)4-11(7)8(9)10/h6-7H,3-5H2,1-2H3,(H3,9,10).
What are the key properties of 5-ethyl-2-methylmorpholine-4-carboximidamide?
5-ethyl-2-methylmorpholine-4-carboximidamide has a molecular weight of 171.24 g/mol, XLogP of 0.38, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methylmorpholine-4-carboximidamide is sourced from PubChem (CID 61424292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).