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

C16H24N4O — CID 54126746

IUPACN-[1-(dimethylamino)propylidene]-N'-phenylmorpholine-4-carboximidamide
SMILESCCC(=N/C(=N\c1ccccc1)N1CCOCC1)N(C)C
InChIInChI=1S/C16H24N4O/c1-4-15(19(2)3)18-16(20-10-12-21-13-11-20)17-14-8-6-5-7-9-14/h5-9H,4,10-13H2,1-3H3/b17-16+,18-15?
InChIKeyNRMNEDWTWGOECX-UDVKYEGCSA-N
MW288.39 g/mol
LogP2.38
Rot. Bonds2

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

N-[1-(dimethylamino)propylidene]-N'-phenylmorpholine-4-carboximidamide (PubChem CID 54126746) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[1-(dimethylamino)propylidene]-N'-phenylmorpholine-4-carboximidamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)propylidene]-N'-phenylmorpholine-4-carboximidamide
PubChem CID54126746
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC NameN-[1-(dimethylamino)propylidene]-N'-phenylmorpholine-4-carboximidamide
SMILESCCC(=N/C(=N\c1ccccc1)N1CCOCC1)N(C)C
InChIInChI=1S/C16H24N4O/c1-4-15(19(2)3)18-16(20-10-12-21-13-11-20)17-14-8-6-5-7-9-14/h5-9H,4,10-13H2,1-3H3/b17-16+,18-15?
InChIKeyNRMNEDWTWGOECX-UDVKYEGCSA-N
XLogP2.38
TPSA40.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.38
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

N-[1-(dimethylamino)-2-phenylethylidene]-N'-phenylmorpholine-4-carboximidamide
CID 54319746
CID 146162313
CID 146162313
N-[amino(naphthalen-1-yl)methylidene]-N'-phenylmorpholine-4-carboximidamide
CID 70532858
(NZ)-N-[amino-(2-methoxyphenyl)methylidene]-N'-phenylmorpholine-4-carboximidamide
CID 23459640
N-[amino(phenyl)methylidene]-N'-(4-chlorophenyl)morpholine-4-carboximidamide
CID 70567672
N-[amino(pyridin-2-yl)methylidene]-N'-phenylmorpholine-4-carboximidamide;hydrochloride
CID 70531275
ethyl N-(C,N-diphenylcarbonimidoyl)morpholine-4-carboximidothioate
CID 15723315
N-phenylmorpholine-4-carboximidoyl chloride
CID 9361718
N-(3,5-dimethyl-1,3-thiazol-2-ylidene)-N'-phenylmorpholine-4-carboximidamide
CID 54480757
(E)-but-2-enedioic acid;N-(1-methylpyrrolidin-2-ylidene)-N'-phenylmorpholine-4-carboximidamide
CID 66630041
N,N'-diphenylmorpholine-4-carboximidamide;hydroiodide
CID 17383253
2-(C-morpholin-4-yl-N-phenylcarbonimidoyl)sulfanylacetate
CID 9484360

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)propylidene]-N'-phenylmorpholine-4-carboximidamide?
The IUPAC name of N-[1-(dimethylamino)propylidene]-N'-phenylmorpholine-4-carboximidamide (CID 54126746) is N-[1-(dimethylamino)propylidene]-N'-phenylmorpholine-4-carboximidamide.
What is the SMILES notation for N-[1-(dimethylamino)propylidene]-N'-phenylmorpholine-4-carboximidamide?
The canonical SMILES for N-[1-(dimethylamino)propylidene]-N'-phenylmorpholine-4-carboximidamide is CCC(=N/C(=N\c1ccccc1)N1CCOCC1)N(C)C.
What is the InChIKey of N-[1-(dimethylamino)propylidene]-N'-phenylmorpholine-4-carboximidamide?
The InChIKey is NRMNEDWTWGOECX-UDVKYEGCSA-N. The full InChI is InChI=1S/C16H24N4O/c1-4-15(19(2)3)18-16(20-10-12-21-13-11-20)17-14-8-6-5-7-9-14/h5-9H,4,10-13H2,1-3H3/b17-16+,18-15?.
What are the key properties of N-[1-(dimethylamino)propylidene]-N'-phenylmorpholine-4-carboximidamide?
N-[1-(dimethylamino)propylidene]-N'-phenylmorpholine-4-carboximidamide has a molecular weight of 288.39 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)propylidene]-N'-phenylmorpholine-4-carboximidamide is sourced from PubChem (CID 54126746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).