N'-chloromorpholine-4-carboximidamide

C5H10ClN3O — CID 11182795

IUPACN'-chloromorpholine-4-carboximidamide
SMILESN/C(=N\Cl)N1CCOCC1
InChIInChI=1S/C5H10ClN3O/c6-8-5(7)9-1-3-10-4-2-9/h1-4H2,(H2,7,8)
InChIKeyXXMVXSCQPWHPBD-UHFFFAOYSA-N
MW163.61 g/mol
LogP-0.21
Rot. Bonds

About N'-chloromorpholine-4-carboximidamide

N'-chloromorpholine-4-carboximidamide (PubChem CID 11182795) has the molecular formula C5H10ClN3O and a molecular weight of 163.61 g/mol. Its IUPAC name is N'-chloromorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-chloromorpholine-4-carboximidamide
PubChem CID11182795
Molecular FormulaC5H10ClN3O
Molecular Weight163.61 g/mol
Exact Mass163.05
IUPAC NameN'-chloromorpholine-4-carboximidamide
SMILESN/C(=N\Cl)N1CCOCC1
InChIInChI=1S/C5H10ClN3O/c6-8-5(7)9-1-3-10-4-2-9/h1-4H2,(H2,7,8)
InChIKeyXXMVXSCQPWHPBD-UHFFFAOYSA-N
XLogP-0.21
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.61
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-chloromorpholine-4-carboximidamide?
The IUPAC name of N'-chloromorpholine-4-carboximidamide (CID 11182795) is N'-chloromorpholine-4-carboximidamide.
What is the SMILES notation for N'-chloromorpholine-4-carboximidamide?
The canonical SMILES for N'-chloromorpholine-4-carboximidamide is N/C(=N\Cl)N1CCOCC1.
What is the InChIKey of N'-chloromorpholine-4-carboximidamide?
The InChIKey is XXMVXSCQPWHPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10ClN3O/c6-8-5(7)9-1-3-10-4-2-9/h1-4H2,(H2,7,8).
What are the key properties of N'-chloromorpholine-4-carboximidamide?
N'-chloromorpholine-4-carboximidamide has a molecular weight of 163.61 g/mol, XLogP of -0.21, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-chloromorpholine-4-carboximidamide is sourced from PubChem (CID 11182795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).