4-(2,5-dimethylmorpholin-4-yl)-N'-hydroxybutanimidamide

C10H21N3O2 — CID 43544642

IUPAC4-(2,5-dimethylmorpholin-4-yl)-N'-hydroxybutanimidamide
SMILESCC1CN(CCC/C(N)=N/O)C(C)CO1
InChIInChI=1S/C10H21N3O2/c1-8-7-15-9(2)6-13(8)5-3-4-10(11)12-14/h8-9,14H,3-7H2,1-2H3,(H2,11,12)
InChIKeyMEURYMCIRMTABK-UHFFFAOYSA-N
MW215.30 g/mol
LogP0.62
Rot. Bonds4

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

4-(2,5-dimethylmorpholin-4-yl)-N'-hydroxybutanimidamide (PubChem CID 43544642) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is 4-(2,5-dimethylmorpholin-4-yl)-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name4-(2,5-dimethylmorpholin-4-yl)-N'-hydroxybutanimidamide
PubChem CID43544642
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name4-(2,5-dimethylmorpholin-4-yl)-N'-hydroxybutanimidamide
SMILESCC1CN(CCC/C(N)=N/O)C(C)CO1
InChIInChI=1S/C10H21N3O2/c1-8-7-15-9(2)6-13(8)5-3-4-10(11)12-14/h8-9,14H,3-7H2,1-2H3,(H2,11,12)
InChIKeyMEURYMCIRMTABK-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

N'-hydroxy-4-methylmorpholine-2-carboximidamide
CID 75356172
N'-hydroxy-2-[4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]butanimidamide
CID 77012153
4-(3-fluoropropyl)-N'-hydroxymorpholine-2-carboximidamide
CID 81106502
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-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369302
N'-hydroxy-4-(4,4,4-trifluorobutyl)morpholine-2-carboximidamide
CID 113326451
N'-hydroxy-4-morpholin-4-ylbutanimidamide
CID 22762054
2-(2,6-dimethylmorpholin-4-yl)-N'-hydroxyethanimidamide
CID 24711778
(1Z)-N'-Hydroxy-2-(4-morpholinyl)propanimidamide
CID 45791226
N'-hydroxy-2-morpholino-propanamidine
CID 53433452
N'-hydroxy-4-morpholin-4-ylbutanimidamide
CID 73997331

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylmorpholin-4-yl)-N'-hydroxybutanimidamide?
The IUPAC name of 4-(2,5-dimethylmorpholin-4-yl)-N'-hydroxybutanimidamide (CID 43544642) is 4-(2,5-dimethylmorpholin-4-yl)-N'-hydroxybutanimidamide.
What is the SMILES notation for 4-(2,5-dimethylmorpholin-4-yl)-N'-hydroxybutanimidamide?
The canonical SMILES for 4-(2,5-dimethylmorpholin-4-yl)-N'-hydroxybutanimidamide is CC1CN(CCC/C(N)=N/O)C(C)CO1.
What is the InChIKey of 4-(2,5-dimethylmorpholin-4-yl)-N'-hydroxybutanimidamide?
The InChIKey is MEURYMCIRMTABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-8-7-15-9(2)6-13(8)5-3-4-10(11)12-14/h8-9,14H,3-7H2,1-2H3,(H2,11,12).
What are the key properties of 4-(2,5-dimethylmorpholin-4-yl)-N'-hydroxybutanimidamide?
4-(2,5-dimethylmorpholin-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 4-(2,5-dimethylmorpholin-4-yl)-N'-hydroxybutanimidamide is sourced from PubChem (CID 43544642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).