5-ethyl-2-methyl-N'-(2-methylpropyl)morpholine-4-carboximidamide

C12H25N3O — CID 62362119

IUPAC5-ethyl-2-methyl-N'-(2-methylpropyl)morpholine-4-carboximidamide
SMILESCCC1COC(C)CN1/C(N)=N/CC(C)C
InChIInChI=1S/C12H25N3O/c1-5-11-8-16-10(4)7-15(11)12(13)14-6-9(2)3/h9-11H,5-8H2,1-4H3,(H2,13,14)
InChIKeyFUZQUENGXBXFPT-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.46
Rot. Bonds3

About 5-ethyl-2-methyl-N'-(2-methylpropyl)morpholine-4-carboximidamide

5-ethyl-2-methyl-N'-(2-methylpropyl)morpholine-4-carboximidamide (PubChem CID 62362119) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 5-ethyl-2-methyl-N'-(2-methylpropyl)morpholine-4-carboximidamide.

Molecular Properties

Compound Name5-ethyl-2-methyl-N'-(2-methylpropyl)morpholine-4-carboximidamide
PubChem CID62362119
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name5-ethyl-2-methyl-N'-(2-methylpropyl)morpholine-4-carboximidamide
SMILESCCC1COC(C)CN1/C(N)=N/CC(C)C
InChIInChI=1S/C12H25N3O/c1-5-11-8-16-10(4)7-15(11)12(13)14-6-9(2)3/h9-11H,5-8H2,1-4H3,(H2,13,14)
InChIKeyFUZQUENGXBXFPT-UHFFFAOYSA-N
XLogP1.46
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.46
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 5-ethyl-2-methyl-N'-(2-methylpropyl)morpholine-4-carboximidamide?
The IUPAC name of 5-ethyl-2-methyl-N'-(2-methylpropyl)morpholine-4-carboximidamide (CID 62362119) is 5-ethyl-2-methyl-N'-(2-methylpropyl)morpholine-4-carboximidamide.
What is the SMILES notation for 5-ethyl-2-methyl-N'-(2-methylpropyl)morpholine-4-carboximidamide?
The canonical SMILES for 5-ethyl-2-methyl-N'-(2-methylpropyl)morpholine-4-carboximidamide is CCC1COC(C)CN1/C(N)=N/CC(C)C.
What is the InChIKey of 5-ethyl-2-methyl-N'-(2-methylpropyl)morpholine-4-carboximidamide?
The InChIKey is FUZQUENGXBXFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-5-11-8-16-10(4)7-15(11)12(13)14-6-9(2)3/h9-11H,5-8H2,1-4H3,(H2,13,14).
What are the key properties of 5-ethyl-2-methyl-N'-(2-methylpropyl)morpholine-4-carboximidamide?
5-ethyl-2-methyl-N'-(2-methylpropyl)morpholine-4-carboximidamide has a molecular weight of 227.35 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methyl-N'-(2-methylpropyl)morpholine-4-carboximidamide is sourced from PubChem (CID 62362119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).