3-(3-ethylmorpholin-4-yl)-N'-hydroxy-2-methylpropanimidamide

C10H21N3O2 — CID 43613264

IUPAC3-(3-ethylmorpholin-4-yl)-N'-hydroxy-2-methylpropanimidamide
SMILESCCC1COCCN1CC(C)/C(N)=N/O
InChIInChI=1S/C10H21N3O2/c1-3-9-7-15-5-4-13(9)6-8(2)10(11)12-14/h8-9,14H,3-7H2,1-2H3,(H2,11,12)
InChIKeyPZYANYWTDAKTMG-UHFFFAOYSA-N
MW215.30 g/mol
LogP0.48
Rot. Bonds4

About 3-(3-ethylmorpholin-4-yl)-N'-hydroxy-2-methylpropanimidamide

3-(3-ethylmorpholin-4-yl)-N'-hydroxy-2-methylpropanimidamide (PubChem CID 43613264) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is 3-(3-ethylmorpholin-4-yl)-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-(3-ethylmorpholin-4-yl)-N'-hydroxy-2-methylpropanimidamide
PubChem CID43613264
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name3-(3-ethylmorpholin-4-yl)-N'-hydroxy-2-methylpropanimidamide
SMILESCCC1COCCN1CC(C)/C(N)=N/O
InChIInChI=1S/C10H21N3O2/c1-3-9-7-15-5-4-13(9)6-8(2)10(11)12-14/h8-9,14H,3-7H2,1-2H3,(H2,11,12)
InChIKeyPZYANYWTDAKTMG-UHFFFAOYSA-N
XLogP0.48
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 50.48
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
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-[(3-ethylmorpholin-4-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369270
2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369302
2-[(3,3-dimethylmorpholin-4-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369305
2-[(3-Ethylmorpholin-4-yl)methyl]-3,3,3-trifluoropropanimidamide
CID 103370593
2-[(2,6-dimethylmorpholin-4-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 113807932
2-[(2,2-dimethylmorpholin-4-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 113807948
2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 113808085

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylmorpholin-4-yl)-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-(3-ethylmorpholin-4-yl)-N'-hydroxy-2-methylpropanimidamide (CID 43613264) is 3-(3-ethylmorpholin-4-yl)-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-(3-ethylmorpholin-4-yl)-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-(3-ethylmorpholin-4-yl)-N'-hydroxy-2-methylpropanimidamide is CCC1COCCN1CC(C)/C(N)=N/O.
What is the InChIKey of 3-(3-ethylmorpholin-4-yl)-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is PZYANYWTDAKTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-3-9-7-15-5-4-13(9)6-8(2)10(11)12-14/h8-9,14H,3-7H2,1-2H3,(H2,11,12).
What are the key properties of 3-(3-ethylmorpholin-4-yl)-N'-hydroxy-2-methylpropanimidamide?
3-(3-ethylmorpholin-4-yl)-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 215.30 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylmorpholin-4-yl)-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 43613264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).