3-(2,6-dimethylmorpholin-4-yl)-N'-hydroxypentanimidamide

C11H23N3O2 — CID 43367750

IUPAC3-(2,6-dimethylmorpholin-4-yl)-N'-hydroxypentanimidamide
SMILESCCC(C/C(N)=N/O)N1CC(C)OC(C)C1
InChIInChI=1S/C11H23N3O2/c1-4-10(5-11(12)13-15)14-6-8(2)16-9(3)7-14/h8-10,15H,4-7H2,1-3H3,(H2,12,13)
InChIKeyZVECJSPJJKZAAK-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.01
Rot. Bonds4

About 3-(2,6-dimethylmorpholin-4-yl)-N'-hydroxypentanimidamide

3-(2,6-dimethylmorpholin-4-yl)-N'-hydroxypentanimidamide (PubChem CID 43367750) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 3-(2,6-dimethylmorpholin-4-yl)-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name3-(2,6-dimethylmorpholin-4-yl)-N'-hydroxypentanimidamide
PubChem CID43367750
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name3-(2,6-dimethylmorpholin-4-yl)-N'-hydroxypentanimidamide
SMILESCCC(C/C(N)=N/O)N1CC(C)OC(C)C1
InChIInChI=1S/C11H23N3O2/c1-4-10(5-11(12)13-15)14-6-8(2)16-9(3)7-14/h8-10,15H,4-7H2,1-3H3,(H2,12,13)
InChIKeyZVECJSPJJKZAAK-UHFFFAOYSA-N
XLogP1.01
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 ≤ 51.01
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-4-methylmorpholine-2-carboximidamide
CID 75356172
4-(3-fluoropropyl)-N'-hydroxymorpholine-2-carboximidamide
CID 81106502
2-[(2,5-dimethylmorpholin-4-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369258
N'-hydroxy-4-morpholin-4-ylbutanimidamide
CID 22762054
N'-hydroxy-4-morpholin-4-ylbutanimidamide
CID 73997331
3-(2,6-dimethylmorpholin-4-yl)-N'-hydroxypropanimidamide
CID 24691298
N'-hydroxy-3-(2-methylmorpholin-4-yl)propanimidamide
CID 24702388
4-(2,6-dimethylmorpholin-4-yl)-N'-hydroxybutanimidamide
CID 24710363
N'-hydroxy-4-(2-methylmorpholin-4-yl)butanimidamide
CID 24711621
N'-hydroxy-3-morpholin-4-ylpentanimidamide
CID 43174972
N'-hydroxy-3-(2-methylmorpholin-4-yl)pentanimidamide
CID 43174984
3-(2,6-dimethylmorpholin-4-yl)-N'-hydroxy-2-methylpropanimidamide
CID 43367754

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)-N'-hydroxypentanimidamide?
The IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)-N'-hydroxypentanimidamide (CID 43367750) is 3-(2,6-dimethylmorpholin-4-yl)-N'-hydroxypentanimidamide.
What is the SMILES notation for 3-(2,6-dimethylmorpholin-4-yl)-N'-hydroxypentanimidamide?
The canonical SMILES for 3-(2,6-dimethylmorpholin-4-yl)-N'-hydroxypentanimidamide is CCC(C/C(N)=N/O)N1CC(C)OC(C)C1.
What is the InChIKey of 3-(2,6-dimethylmorpholin-4-yl)-N'-hydroxypentanimidamide?
The InChIKey is ZVECJSPJJKZAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-4-10(5-11(12)13-15)14-6-8(2)16-9(3)7-14/h8-10,15H,4-7H2,1-3H3,(H2,12,13).
What are the key properties of 3-(2,6-dimethylmorpholin-4-yl)-N'-hydroxypentanimidamide?
3-(2,6-dimethylmorpholin-4-yl)-N'-hydroxypentanimidamide has a molecular weight of 229.32 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylmorpholin-4-yl)-N'-hydroxypentanimidamide is sourced from PubChem (CID 43367750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).