3-(2,5-dimethylmorpholin-4-yl)-N'-hydroxypropanimidamide

C9H19N3O2 — CID 43544643

IUPAC3-(2,5-dimethylmorpholin-4-yl)-N'-hydroxypropanimidamide
SMILESCC1CN(CC/C(N)=N/O)C(C)CO1
InChIInChI=1S/C9H19N3O2/c1-7-6-14-8(2)5-12(7)4-3-9(10)11-13/h7-8,13H,3-6H2,1-2H3,(H2,10,11)
InChIKeyLIVPQXYNJLEESX-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.23
Rot. Bonds3

About 3-(2,5-dimethylmorpholin-4-yl)-N'-hydroxypropanimidamide

3-(2,5-dimethylmorpholin-4-yl)-N'-hydroxypropanimidamide (PubChem CID 43544643) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-(2,5-dimethylmorpholin-4-yl)-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-(2,5-dimethylmorpholin-4-yl)-N'-hydroxypropanimidamide
PubChem CID43544643
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name3-(2,5-dimethylmorpholin-4-yl)-N'-hydroxypropanimidamide
SMILESCC1CN(CC/C(N)=N/O)C(C)CO1
InChIInChI=1S/C9H19N3O2/c1-7-6-14-8(2)5-12(7)4-3-9(10)11-13/h7-8,13H,3-6H2,1-2H3,(H2,10,11)
InChIKeyLIVPQXYNJLEESX-UHFFFAOYSA-N
XLogP0.23
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.23
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

N'-hydroxy-3-(morpholin-4-yl)propanimidamide
CID 658263
N'-hydroxy-3-morpholin-4-ylpropanimidamide
CID 5787165
N'-hydroxy-4-methylmorpholine-2-carboximidamide
CID 75356172
N'-hydroxy-4-[3-(2,2,2-trifluoroethoxy)propyl]morpholine-2-carboximidamide
CID 79680420
N'-hydroxy-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine-2-carboximidamide
CID 79680790
4-(2-fluoroethyl)-N'-hydroxymorpholine-2-carboximidamide
CID 80694743
4-(3-fluoropropyl)-N'-hydroxymorpholine-2-carboximidamide
CID 81106502
3,3,3-trifluoro-N'-hydroxy-2-[(2-methylmorpholin-4-yl)methyl]propanimidamide
CID 103369210
3,3,3-trifluoro-N'-hydroxy-2-[(3-methylmorpholin-4-yl)methyl]propanimidamide
CID 103369257
2-[(2,5-dimethylmorpholin-4-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369258
2-[(2-ethylmorpholin-4-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369259
2-[(3-ethylmorpholin-4-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369270

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylmorpholin-4-yl)-N'-hydroxypropanimidamide?
The IUPAC name of 3-(2,5-dimethylmorpholin-4-yl)-N'-hydroxypropanimidamide (CID 43544643) is 3-(2,5-dimethylmorpholin-4-yl)-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-(2,5-dimethylmorpholin-4-yl)-N'-hydroxypropanimidamide?
The canonical SMILES for 3-(2,5-dimethylmorpholin-4-yl)-N'-hydroxypropanimidamide is CC1CN(CC/C(N)=N/O)C(C)CO1.
What is the InChIKey of 3-(2,5-dimethylmorpholin-4-yl)-N'-hydroxypropanimidamide?
The InChIKey is LIVPQXYNJLEESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-7-6-14-8(2)5-12(7)4-3-9(10)11-13/h7-8,13H,3-6H2,1-2H3,(H2,10,11).
What are the key properties of 3-(2,5-dimethylmorpholin-4-yl)-N'-hydroxypropanimidamide?
3-(2,5-dimethylmorpholin-4-yl)-N'-hydroxypropanimidamide has a molecular weight of 201.27 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylmorpholin-4-yl)-N'-hydroxypropanimidamide is sourced from PubChem (CID 43544643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).