N'-hydroxy-2,5-dimethylmorpholine-4-carboximidamide

C7H15N3O2 — CID 62484131

IUPACN'-hydroxy-2,5-dimethylmorpholine-4-carboximidamide
SMILESCC1CN(/C(N)=N/O)C(C)CO1
InChIInChI=1S/C7H15N3O2/c1-5-4-12-6(2)3-10(5)7(8)9-11/h5-6,11H,3-4H2,1-2H3,(H2,8,9)
InChIKeyXKHOLCKDDOXBSF-UHFFFAOYSA-N
MW173.22 g/mol
LogP-0.20
Rot. Bonds

About N'-hydroxy-2,5-dimethylmorpholine-4-carboximidamide

N'-hydroxy-2,5-dimethylmorpholine-4-carboximidamide (PubChem CID 62484131) has the molecular formula C7H15N3O2 and a molecular weight of 173.22 g/mol. Its IUPAC name is N'-hydroxy-2,5-dimethylmorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2,5-dimethylmorpholine-4-carboximidamide
PubChem CID62484131
Molecular FormulaC7H15N3O2
Molecular Weight173.22 g/mol
Exact Mass173.12
IUPAC NameN'-hydroxy-2,5-dimethylmorpholine-4-carboximidamide
SMILESCC1CN(/C(N)=N/O)C(C)CO1
InChIInChI=1S/C7H15N3O2/c1-5-4-12-6(2)3-10(5)7(8)9-11/h5-6,11H,3-4H2,1-2H3,(H2,8,9)
InChIKeyXKHOLCKDDOXBSF-UHFFFAOYSA-N
XLogP-0.20
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,5-dimethylmorpholine-4-carboximidamide?
The IUPAC name of N'-hydroxy-2,5-dimethylmorpholine-4-carboximidamide (CID 62484131) is N'-hydroxy-2,5-dimethylmorpholine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-2,5-dimethylmorpholine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-2,5-dimethylmorpholine-4-carboximidamide is CC1CN(/C(N)=N/O)C(C)CO1.
What is the InChIKey of N'-hydroxy-2,5-dimethylmorpholine-4-carboximidamide?
The InChIKey is XKHOLCKDDOXBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2/c1-5-4-12-6(2)3-10(5)7(8)9-11/h5-6,11H,3-4H2,1-2H3,(H2,8,9).
What are the key properties of N'-hydroxy-2,5-dimethylmorpholine-4-carboximidamide?
N'-hydroxy-2,5-dimethylmorpholine-4-carboximidamide has a molecular weight of 173.22 g/mol, XLogP of -0.20, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,5-dimethylmorpholine-4-carboximidamide is sourced from PubChem (CID 62484131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).