N,N'-diphenylmorpholine-4-carboximidamide;hydroiodide

C17H20IN3O — CID 17383253

IUPACN,N'-diphenylmorpholine-4-carboximidamide;hydroiodide
SMILESI.c1ccc(/N=C(/Nc2ccccc2)N2CCOCC2)cc1
InChIInChI=1S/C17H19N3O.HI/c1-3-7-15(8-4-1)18-17(20-11-13-21-14-12-20)19-16-9-5-2-6-10-16;/h1-10H,11-14H2,(H,18,19);1H
InChIKeyXKZDIGQLRDDXFG-UHFFFAOYSA-N
MW409.27 g/mol
LogP3.74
Rot. Bonds2

About N,N'-diphenylmorpholine-4-carboximidamide;hydroiodide

N,N'-diphenylmorpholine-4-carboximidamide;hydroiodide (PubChem CID 17383253) has the molecular formula C17H20IN3O and a molecular weight of 409.27 g/mol. Its IUPAC name is N,N'-diphenylmorpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN,N'-diphenylmorpholine-4-carboximidamide;hydroiodide
PubChem CID17383253
Molecular FormulaC17H20IN3O
Molecular Weight409.27 g/mol
Exact Mass409.07
IUPAC NameN,N'-diphenylmorpholine-4-carboximidamide;hydroiodide
SMILESI.c1ccc(/N=C(/Nc2ccccc2)N2CCOCC2)cc1
InChIInChI=1S/C17H19N3O.HI/c1-3-7-15(8-4-1)18-17(20-11-13-21-14-12-20)19-16-9-5-2-6-10-16;/h1-10H,11-14H2,(H,18,19);1H
InChIKeyXKZDIGQLRDDXFG-UHFFFAOYSA-N
XLogP3.74
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.27
LogP ≤ 53.74
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N'-(2,3,4,5,6,7-hexahydroazocin-8-yl)-N-phenylmorpholine-4-carboximidamide
CID 70452833
N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-phenylmorpholine-4-carboximidamide;hydrochloride
CID 70538717
N'-(4-methylphenyl)-N-phenylpiperidine-1-carboximidamide
CID 138974908
N-phenylmorpholine-4-carboximidoyl chloride
CID 9361718
CID 146162313
CID 146162313
N-phenylmorpholine-4-carbothioamide
CID 139054920
3-morpholin-4-yl-2-nitro-1-N,1-N'-diphenyl-3-phenyliminoprop-1-ene-1,1-diamine
CID 100954106
N-(4-cyanophenyl)-N'-(4-nitrophenyl)morpholine-4-carboximidamide
CID 135556242
N-methyl-N-(phenylcarbamoyl)morpholine-4-carboxamide
CID 12876147
4-morpholin-4-yl-4-oxo-N-phenylbutanamide
CID 9341047
N'-benzyl-N-(4-nitrophenyl)morpholine-4-carboximidamide
CID 132838246
4-(morpholine-4-carbonyl)-N-phenylcyclohexane-1-carboxamide
CID 109146802

Frequently Asked Questions

What is the IUPAC name of N,N'-diphenylmorpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N,N'-diphenylmorpholine-4-carboximidamide;hydroiodide (CID 17383253) is N,N'-diphenylmorpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N,N'-diphenylmorpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N,N'-diphenylmorpholine-4-carboximidamide;hydroiodide is I.c1ccc(/N=C(/Nc2ccccc2)N2CCOCC2)cc1.
What is the InChIKey of N,N'-diphenylmorpholine-4-carboximidamide;hydroiodide?
The InChIKey is XKZDIGQLRDDXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O.HI/c1-3-7-15(8-4-1)18-17(20-11-13-21-14-12-20)19-16-9-5-2-6-10-16;/h1-10H,11-14H2,(H,18,19);1H.
What are the key properties of N,N'-diphenylmorpholine-4-carboximidamide;hydroiodide?
N,N'-diphenylmorpholine-4-carboximidamide;hydroiodide has a molecular weight of 409.27 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diphenylmorpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 17383253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).