N'-(N-ethyl-C-methylcarbonimidoyl)-N-phenylmorpholine-4-carboximidamide

C15H22N4O — CID 10039025

IUPACN'-(N-ethyl-C-methylcarbonimidoyl)-N-phenylmorpholine-4-carboximidamide
SMILESCC/N=C(C)/N=C(/Nc1ccccc1)N1CCOCC1
InChIInChI=1S/C15H22N4O/c1-3-16-13(2)17-15(19-9-11-20-12-10-19)18-14-7-5-4-6-8-14/h4-8H,3,9-12H2,1-2H3,(H,16,17,18)
InChIKeyOENWOZBBYGZHSD-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.22
Rot. Bonds2

About N'-(N-ethyl-C-methylcarbonimidoyl)-N-phenylmorpholine-4-carboximidamide

N'-(N-ethyl-C-methylcarbonimidoyl)-N-phenylmorpholine-4-carboximidamide (PubChem CID 10039025) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is N'-(N-ethyl-C-methylcarbonimidoyl)-N-phenylmorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-(N-ethyl-C-methylcarbonimidoyl)-N-phenylmorpholine-4-carboximidamide
PubChem CID10039025
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC NameN'-(N-ethyl-C-methylcarbonimidoyl)-N-phenylmorpholine-4-carboximidamide
SMILESCC/N=C(C)/N=C(/Nc1ccccc1)N1CCOCC1
InChIInChI=1S/C15H22N4O/c1-3-16-13(2)17-15(19-9-11-20-12-10-19)18-14-7-5-4-6-8-14/h4-8H,3,9-12H2,1-2H3,(H,16,17,18)
InChIKeyOENWOZBBYGZHSD-UHFFFAOYSA-N
XLogP2.22
TPSA49.22 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.22
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-ethyl-C-methylcarbonimidoyl)-N-phenylmorpholine-4-carboximidamide?
The IUPAC name of N'-(N-ethyl-C-methylcarbonimidoyl)-N-phenylmorpholine-4-carboximidamide (CID 10039025) is N'-(N-ethyl-C-methylcarbonimidoyl)-N-phenylmorpholine-4-carboximidamide.
What is the SMILES notation for N'-(N-ethyl-C-methylcarbonimidoyl)-N-phenylmorpholine-4-carboximidamide?
The canonical SMILES for N'-(N-ethyl-C-methylcarbonimidoyl)-N-phenylmorpholine-4-carboximidamide is CC/N=C(C)/N=C(/Nc1ccccc1)N1CCOCC1.
What is the InChIKey of N'-(N-ethyl-C-methylcarbonimidoyl)-N-phenylmorpholine-4-carboximidamide?
The InChIKey is OENWOZBBYGZHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-3-16-13(2)17-15(19-9-11-20-12-10-19)18-14-7-5-4-6-8-14/h4-8H,3,9-12H2,1-2H3,(H,16,17,18).
What are the key properties of N'-(N-ethyl-C-methylcarbonimidoyl)-N-phenylmorpholine-4-carboximidamide?
N'-(N-ethyl-C-methylcarbonimidoyl)-N-phenylmorpholine-4-carboximidamide has a molecular weight of 274.37 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(N-ethyl-C-methylcarbonimidoyl)-N-phenylmorpholine-4-carboximidamide is sourced from PubChem (CID 10039025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).