(NE)-N-[1-(dimethylamino)ethylidene]-N'-phenylmorpholine-4-carboximidamide

C15H22N4O — CID 10446042

IUPAC(NE)-N-[1-(dimethylamino)ethylidene]-N'-phenylmorpholine-4-carboximidamide
SMILESC/C(=N\C(=N/c1ccccc1)N1CCOCC1)N(C)C
InChIInChI=1S/C15H22N4O/c1-13(18(2)3)16-15(19-9-11-20-12-10-19)17-14-7-5-4-6-8-14/h4-8H,9-12H2,1-3H3/b16-13+,17-15+
InChIKeyOTOCZXHBZMAIPY-NLEMEUKFSA-N
MW274.37 g/mol
LogP1.99
Rot. Bonds1

About (NE)-N-[1-(dimethylamino)ethylidene]-N'-phenylmorpholine-4-carboximidamide

(NE)-N-[1-(dimethylamino)ethylidene]-N'-phenylmorpholine-4-carboximidamide (PubChem CID 10446042) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is (NE)-N-[1-(dimethylamino)ethylidene]-N'-phenylmorpholine-4-carboximidamide.

Molecular Properties

Compound Name(NE)-N-[1-(dimethylamino)ethylidene]-N'-phenylmorpholine-4-carboximidamide
PubChem CID10446042
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name(NE)-N-[1-(dimethylamino)ethylidene]-N'-phenylmorpholine-4-carboximidamide
SMILESC/C(=N\C(=N/c1ccccc1)N1CCOCC1)N(C)C
InChIInChI=1S/C15H22N4O/c1-13(18(2)3)16-15(19-9-11-20-12-10-19)17-14-7-5-4-6-8-14/h4-8H,9-12H2,1-3H3/b16-13+,17-15+
InChIKeyOTOCZXHBZMAIPY-NLEMEUKFSA-N
XLogP1.99
TPSA40.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.99
H-Bond Donors ≤ 50
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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Related Compounds

ethyl N-phenyl-4-morpholinecarbimidothioate
CID 18558755
N,N-diethyl-4-(morpholin-4-ylmethylideneamino)aniline
CID 2311860
N'-phenylmorpholine-4-carboximidamide
CID 4183808
Linogliride
CID 6536869
N'-(C-methyl-N-propylcarbonimidoyl)-N-phenylmorpholine-4-carboximidamide
CID 9817416
N-phenyl-N'-(C-propan-2-yl-N-propylcarbonimidoyl)morpholine-4-carboximidamide
CID 9973084
N'-(N-methyl-C-propan-2-ylcarbonimidoyl)-N-phenylmorpholine-4-carboximidamide
CID 9994303
N'-(N-ethyl-C-propan-2-ylcarbonimidoyl)-N-phenylmorpholine-4-carboximidamide
CID 9995103
N'-(N-ethyl-C-methylcarbonimidoyl)-N-phenylmorpholine-4-carboximidamide
CID 10039025
N'-(C-ethyl-N-methylcarbonimidoyl)-N-phenylmorpholine-4-carboximidamide
CID 10084744
N'-[N-(2-hydroxyethyl)-C-methylcarbonimidoyl]-N-phenylmorpholine-4-carboximidamide
CID 10379471
N'-(C,N-dimethylcarbonimidoyl)-N-phenylmorpholine-4-carboximidamide
CID 10400393

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-(dimethylamino)ethylidene]-N'-phenylmorpholine-4-carboximidamide?
The IUPAC name of (NE)-N-[1-(dimethylamino)ethylidene]-N'-phenylmorpholine-4-carboximidamide (CID 10446042) is (NE)-N-[1-(dimethylamino)ethylidene]-N'-phenylmorpholine-4-carboximidamide.
What is the SMILES notation for (NE)-N-[1-(dimethylamino)ethylidene]-N'-phenylmorpholine-4-carboximidamide?
The canonical SMILES for (NE)-N-[1-(dimethylamino)ethylidene]-N'-phenylmorpholine-4-carboximidamide is C/C(=N\C(=N/c1ccccc1)N1CCOCC1)N(C)C.
What is the InChIKey of (NE)-N-[1-(dimethylamino)ethylidene]-N'-phenylmorpholine-4-carboximidamide?
The InChIKey is OTOCZXHBZMAIPY-NLEMEUKFSA-N. The full InChI is InChI=1S/C15H22N4O/c1-13(18(2)3)16-15(19-9-11-20-12-10-19)17-14-7-5-4-6-8-14/h4-8H,9-12H2,1-3H3/b16-13+,17-15+.
What are the key properties of (NE)-N-[1-(dimethylamino)ethylidene]-N'-phenylmorpholine-4-carboximidamide?
(NE)-N-[1-(dimethylamino)ethylidene]-N'-phenylmorpholine-4-carboximidamide has a molecular weight of 274.37 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-(dimethylamino)ethylidene]-N'-phenylmorpholine-4-carboximidamide is sourced from PubChem (CID 10446042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).