N'-hydroxy-3-morpholin-4-ylpropanimidamide

C7H15N3O2 — CID 658263

IUPACN'-hydroxy-3-morpholin-4-ylpropanimidamide
SMILESNC(CCN1CCOCC1)=NO
InChIInChI=1S/C7H15N3O2/c8-7(9-11)1-2-10-3-5-12-6-4-10/h11H,1-6H2,(H2,8,9)
InChIKeyVGMYEKAPTYTGAL-UHFFFAOYSA-N
MW173.22 g/mol
LogP-0.54
Rot. Bonds3

About N'-hydroxy-3-morpholin-4-ylpropanimidamide

N'-hydroxy-3-morpholin-4-ylpropanimidamide (PubChem CID 658263) has the molecular formula C7H15N3O2 and a molecular weight of 173.22 g/mol. Its IUPAC name is N'-hydroxy-3-morpholin-4-ylpropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-morpholin-4-ylpropanimidamide
PubChem CID658263
Molecular FormulaC7H15N3O2
Molecular Weight173.22 g/mol
Exact Mass173.12
IUPAC NameN'-hydroxy-3-morpholin-4-ylpropanimidamide
SMILESNC(CCN1CCOCC1)=NO
InChIInChI=1S/C7H15N3O2/c8-7(9-11)1-2-10-3-5-12-6-4-10/h11H,1-6H2,(H2,8,9)
InChIKeyVGMYEKAPTYTGAL-UHFFFAOYSA-N
XLogP-0.54
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 5-0.54
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-morpholin-4-ylpropanimidamide?
The IUPAC name of N'-hydroxy-3-morpholin-4-ylpropanimidamide (CID 658263) is N'-hydroxy-3-morpholin-4-ylpropanimidamide.
What is the SMILES notation for N'-hydroxy-3-morpholin-4-ylpropanimidamide?
The canonical SMILES for N'-hydroxy-3-morpholin-4-ylpropanimidamide is NC(CCN1CCOCC1)=NO.
What is the InChIKey of N'-hydroxy-3-morpholin-4-ylpropanimidamide?
The InChIKey is VGMYEKAPTYTGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2/c8-7(9-11)1-2-10-3-5-12-6-4-10/h11H,1-6H2,(H2,8,9).
What are the key properties of N'-hydroxy-3-morpholin-4-ylpropanimidamide?
N'-hydroxy-3-morpholin-4-ylpropanimidamide has a molecular weight of 173.22 g/mol, XLogP of -0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-morpholin-4-ylpropanimidamide is sourced from PubChem (CID 658263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).