3-(2-ethylmorpholin-4-yl)-N'-hydroxybutanimidamide

C10H21N3O2 — CID 76883581

IUPAC3-(2-ethylmorpholin-4-yl)-N'-hydroxybutanimidamide
SMILESCCC1CN(C(C)CC(N)=NO)CCO1
InChIInChI=1S/C10H21N3O2/c1-3-9-7-13(4-5-15-9)8(2)6-10(11)12-14/h8-9,14H,3-7H2,1-2H3,(H2,11,12)
InChIKeyGISSYKDCECVNRH-UHFFFAOYSA-N
MW215.30 g/mol
LogP0.62
Rot. Bonds4

About 3-(2-ethylmorpholin-4-yl)-N'-hydroxybutanimidamide

3-(2-ethylmorpholin-4-yl)-N'-hydroxybutanimidamide (PubChem CID 76883581) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is 3-(2-ethylmorpholin-4-yl)-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name3-(2-ethylmorpholin-4-yl)-N'-hydroxybutanimidamide
PubChem CID76883581
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name3-(2-ethylmorpholin-4-yl)-N'-hydroxybutanimidamide
SMILESCCC1CN(C(C)CC(N)=NO)CCO1
InChIInChI=1S/C10H21N3O2/c1-3-9-7-13(4-5-15-9)8(2)6-10(11)12-14/h8-9,14H,3-7H2,1-2H3,(H2,11,12)
InChIKeyGISSYKDCECVNRH-UHFFFAOYSA-N
XLogP0.62
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 ≤ 50.62
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

3-(2-ethylmorpholin-4-yl)butan-1-amine
CID 60913991
methyl 3-(2-ethylmorpholin-4-yl)butanoate
CID 43562857
2-amino-4-(2-ethylmorpholin-4-yl)-2-methylpentanoic acid
CID 64709975
N-ethyl-3-(2-ethylmorpholin-4-yl)butan-1-amine
CID 62434087
N'-hydroxy-2-[(4-propan-2-ylmorpholin-2-yl)methyl-propylamino]ethanimidamide
CID 77043475
4-(2-ethylmorpholin-4-yl)-2-methyl-2-(propan-2-ylamino)pentanamide
CID 64711142
N'-hydroxy-3-(4-hydroxy-3-methylpiperidin-1-yl)butanimidamide
CID 104940928
(2R)-N-carbamoyl-2-[(2S)-2-ethylmorpholin-4-yl]propanamide
CID 98752361
N-[2-(2-ethylmorpholin-4-yl)propyl]-3-methylbutan-1-amine
CID 62570644
N'-hydroxy-3-[3-(methoxymethyl)pyrrolidin-1-yl]butanimidamide
CID 77048476
3-(3-ethoxypiperidin-1-yl)-N'-hydroxybutanimidamide
CID 76910258
methyl 3-(2-ethylmorpholin-4-yl)-2-methylbutanoate
CID 79406097

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylmorpholin-4-yl)-N'-hydroxybutanimidamide?
The IUPAC name of 3-(2-ethylmorpholin-4-yl)-N'-hydroxybutanimidamide (CID 76883581) is 3-(2-ethylmorpholin-4-yl)-N'-hydroxybutanimidamide.
What is the SMILES notation for 3-(2-ethylmorpholin-4-yl)-N'-hydroxybutanimidamide?
The canonical SMILES for 3-(2-ethylmorpholin-4-yl)-N'-hydroxybutanimidamide is CCC1CN(C(C)CC(N)=NO)CCO1.
What is the InChIKey of 3-(2-ethylmorpholin-4-yl)-N'-hydroxybutanimidamide?
The InChIKey is GISSYKDCECVNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-3-9-7-13(4-5-15-9)8(2)6-10(11)12-14/h8-9,14H,3-7H2,1-2H3,(H2,11,12).
What are the key properties of 3-(2-ethylmorpholin-4-yl)-N'-hydroxybutanimidamide?
3-(2-ethylmorpholin-4-yl)-N'-hydroxybutanimidamide has a molecular weight of 215.30 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylmorpholin-4-yl)-N'-hydroxybutanimidamide is sourced from PubChem (CID 76883581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).