3-(5-ethyl-2-methylmorpholin-4-yl)-N'-hydroxy-2-methylpropanimidamide

C11H23N3O2 — CID 61424242

IUPAC3-(5-ethyl-2-methylmorpholin-4-yl)-N'-hydroxy-2-methylpropanimidamide
SMILESCCC1COC(C)CN1CC(C)C(N)=NO
InChIInChI=1S/C11H23N3O2/c1-4-10-7-16-9(3)6-14(10)5-8(2)11(12)13-15/h8-10,15H,4-7H2,1-3H3,(H2,12,13)
InChIKeyLEAHASQKSVNJSG-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.87
Rot. Bonds4

About 3-(5-ethyl-2-methylmorpholin-4-yl)-N'-hydroxy-2-methylpropanimidamide

3-(5-ethyl-2-methylmorpholin-4-yl)-N'-hydroxy-2-methylpropanimidamide (PubChem CID 61424242) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 3-(5-ethyl-2-methylmorpholin-4-yl)-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-(5-ethyl-2-methylmorpholin-4-yl)-N'-hydroxy-2-methylpropanimidamide
PubChem CID61424242
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name3-(5-ethyl-2-methylmorpholin-4-yl)-N'-hydroxy-2-methylpropanimidamide
SMILESCCC1COC(C)CN1CC(C)C(N)=NO
InChIInChI=1S/C11H23N3O2/c1-4-10-7-16-9(3)6-14(10)5-8(2)11(12)13-15/h8-10,15H,4-7H2,1-3H3,(H2,12,13)
InChIKeyLEAHASQKSVNJSG-UHFFFAOYSA-N
XLogP0.87
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(5-ethyl-2-methylmorpholine-4-carbonyl)-N'-hydroxy-3-methylbutanimidamide
CID 76924673
5-ethyl-2-methyl-N'-propan-2-ylmorpholine-4-carboximidamide
CID 62361901
1-(5-ethyl-2-methylmorpholin-4-yl)-3-methoxypropan-2-amine
CID 81101747
5-(5-ethyl-2-methylmorpholin-4-yl)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063744
1-(5-ethyl-2-methylmorpholin-4-yl)-3-piperazin-1-ylpropan-2-ol
CID 65449437
3-(5-ethyl-2-methylmorpholin-4-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one
CID 115996574
N'-hydroxy-2-methyl-3-(3-methylmorpholin-4-yl)propanimidamide
CID 43542176
1-cyclopentyl-3-(5-ethyl-2-methylmorpholin-4-yl)propan-2-ol
CID 103159820
3-(5-ethyl-2-methylmorpholin-4-yl)propan-1-ol
CID 60692406
5-(5-ethyl-2-methylmorpholin-4-yl)-2-methylpentan-1-amine
CID 82683901
4-(5-ethyl-2-methylmorpholin-4-yl)-2-(methylamino)butanoic acid
CID 63054307
5-ethyl-2-methyl-4-(oxiran-2-ylmethyl)morpholine
CID 61424186

Frequently Asked Questions

What is the IUPAC name of 3-(5-ethyl-2-methylmorpholin-4-yl)-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-(5-ethyl-2-methylmorpholin-4-yl)-N'-hydroxy-2-methylpropanimidamide (CID 61424242) is 3-(5-ethyl-2-methylmorpholin-4-yl)-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-(5-ethyl-2-methylmorpholin-4-yl)-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-(5-ethyl-2-methylmorpholin-4-yl)-N'-hydroxy-2-methylpropanimidamide is CCC1COC(C)CN1CC(C)C(N)=NO.
What is the InChIKey of 3-(5-ethyl-2-methylmorpholin-4-yl)-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is LEAHASQKSVNJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-4-10-7-16-9(3)6-14(10)5-8(2)11(12)13-15/h8-10,15H,4-7H2,1-3H3,(H2,12,13).
What are the key properties of 3-(5-ethyl-2-methylmorpholin-4-yl)-N'-hydroxy-2-methylpropanimidamide?
3-(5-ethyl-2-methylmorpholin-4-yl)-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 229.32 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethyl-2-methylmorpholin-4-yl)-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 61424242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).