N'-methanimidoylmorpholine-4-carboximidamide

C6H12N4O — CID 45357081

IUPACN'-methanimidoylmorpholine-4-carboximidamide
SMILES[H]/N=C/N=C(\N)N1CCOCC1
InChIInChI=1S/C6H12N4O/c7-5-9-6(8)10-1-3-11-4-2-10/h5H,1-4H2,(H3,7,8,9)
InChIKeyHPHFVAGCBRRGSH-UHFFFAOYSA-N
MW156.19 g/mol
LogP-0.76
Rot. Bonds1

About N'-methanimidoylmorpholine-4-carboximidamide

N'-methanimidoylmorpholine-4-carboximidamide (PubChem CID 45357081) has the molecular formula C6H12N4O and a molecular weight of 156.19 g/mol. Its IUPAC name is N'-methanimidoylmorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-methanimidoylmorpholine-4-carboximidamide
PubChem CID45357081
Molecular FormulaC6H12N4O
Molecular Weight156.19 g/mol
Exact Mass156.10
IUPAC NameN'-methanimidoylmorpholine-4-carboximidamide
SMILES[H]/N=C/N=C(\N)N1CCOCC1
InChIInChI=1S/C6H12N4O/c7-5-9-6(8)10-1-3-11-4-2-10/h5H,1-4H2,(H3,7,8,9)
InChIKeyHPHFVAGCBRRGSH-UHFFFAOYSA-N
XLogP-0.76
TPSA74.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
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'-methanimidoylmorpholine-4-carboximidamide?
The IUPAC name of N'-methanimidoylmorpholine-4-carboximidamide (CID 45357081) is N'-methanimidoylmorpholine-4-carboximidamide.
What is the SMILES notation for N'-methanimidoylmorpholine-4-carboximidamide?
The canonical SMILES for N'-methanimidoylmorpholine-4-carboximidamide is [H]/N=C/N=C(\N)N1CCOCC1.
What is the InChIKey of N'-methanimidoylmorpholine-4-carboximidamide?
The InChIKey is HPHFVAGCBRRGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O/c7-5-9-6(8)10-1-3-11-4-2-10/h5H,1-4H2,(H3,7,8,9).
What are the key properties of N'-methanimidoylmorpholine-4-carboximidamide?
N'-methanimidoylmorpholine-4-carboximidamide has a molecular weight of 156.19 g/mol, XLogP of -0.76, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methanimidoylmorpholine-4-carboximidamide is sourced from PubChem (CID 45357081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).