N,N'-dibenzylmorpholine-4-carboximidamide

C19H23N3O — CID 10267359

IUPACN,N'-dibenzylmorpholine-4-carboximidamide
SMILESc1ccc(C/N=C(\NCc2ccccc2)N2CCOCC2)cc1
InChIInChI=1S/C19H23N3O/c1-3-7-17(8-4-1)15-20-19(22-11-13-23-14-12-22)21-16-18-9-5-2-6-10-18/h1-10H,11-16H2,(H,20,21)
InChIKeyVVTKLOOEFXEPHG-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.66
Rot. Bonds4

About N,N'-dibenzylmorpholine-4-carboximidamide

N,N'-dibenzylmorpholine-4-carboximidamide (PubChem CID 10267359) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is N,N'-dibenzylmorpholine-4-carboximidamide.

Molecular Properties

Compound NameN,N'-dibenzylmorpholine-4-carboximidamide
PubChem CID10267359
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC NameN,N'-dibenzylmorpholine-4-carboximidamide
SMILESc1ccc(C/N=C(\NCc2ccccc2)N2CCOCC2)cc1
InChIInChI=1S/C19H23N3O/c1-3-7-17(8-4-1)15-20-19(22-11-13-23-14-12-22)21-16-18-9-5-2-6-10-18/h1-10H,11-16H2,(H,20,21)
InChIKeyVVTKLOOEFXEPHG-UHFFFAOYSA-N
XLogP2.66
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.66
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,N'-dibenzylmorpholine-4-carboximidamide?
The IUPAC name of N,N'-dibenzylmorpholine-4-carboximidamide (CID 10267359) is N,N'-dibenzylmorpholine-4-carboximidamide.
What is the SMILES notation for N,N'-dibenzylmorpholine-4-carboximidamide?
The canonical SMILES for N,N'-dibenzylmorpholine-4-carboximidamide is c1ccc(C/N=C(\NCc2ccccc2)N2CCOCC2)cc1.
What is the InChIKey of N,N'-dibenzylmorpholine-4-carboximidamide?
The InChIKey is VVTKLOOEFXEPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-3-7-17(8-4-1)15-20-19(22-11-13-23-14-12-22)21-16-18-9-5-2-6-10-18/h1-10H,11-16H2,(H,20,21).
What are the key properties of N,N'-dibenzylmorpholine-4-carboximidamide?
N,N'-dibenzylmorpholine-4-carboximidamide has a molecular weight of 309.41 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dibenzylmorpholine-4-carboximidamide is sourced from PubChem (CID 10267359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).