N'-[2-(4-chlorophenyl)-2-ethylbutyl]morpholine-4-carboximidamide;hydroiodide

C17H27ClIN3O — CID 111097140

IUPACN'-[2-(4-chlorophenyl)-2-ethylbutyl]morpholine-4-carboximidamide;hydroiodide
SMILESCCC(CC)(C/N=C(\N)N1CCOCC1)c1ccc(Cl)cc1.I
InChIInChI=1S/C17H26ClN3O.HI/c1-3-17(4-2,14-5-7-15(18)8-6-14)13-20-16(19)21-9-11-22-12-10-21;/h5-8H,3-4,9-13H2,1-2H3,(H2,19,20);1H
InChIKeyVCHWIMSHNJGCJE-UHFFFAOYSA-N
MW451.78 g/mol
LogP3.66
Rot. Bonds5

About N'-[2-(4-chlorophenyl)-2-ethylbutyl]morpholine-4-carboximidamide;hydroiodide

N'-[2-(4-chlorophenyl)-2-ethylbutyl]morpholine-4-carboximidamide;hydroiodide (PubChem CID 111097140) has the molecular formula C17H27ClIN3O and a molecular weight of 451.78 g/mol. Its IUPAC name is N'-[2-(4-chlorophenyl)-2-ethylbutyl]morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-(4-chlorophenyl)-2-ethylbutyl]morpholine-4-carboximidamide;hydroiodide
PubChem CID111097140
Molecular FormulaC17H27ClIN3O
Molecular Weight451.78 g/mol
Exact Mass451.09
IUPAC NameN'-[2-(4-chlorophenyl)-2-ethylbutyl]morpholine-4-carboximidamide;hydroiodide
SMILESCCC(CC)(C/N=C(\N)N1CCOCC1)c1ccc(Cl)cc1.I
InChIInChI=1S/C17H26ClN3O.HI/c1-3-17(4-2,14-5-7-15(18)8-6-14)13-20-16(19)21-9-11-22-12-10-21;/h5-8H,3-4,9-13H2,1-2H3,(H2,19,20);1H
InChIKeyVCHWIMSHNJGCJE-UHFFFAOYSA-N
XLogP3.66
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.78
LogP ≤ 53.66
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(3-chlorophenyl)-2-methylpropyl]morpholine-4-carboximidamide
CID 111088020
N'-[2-(4-bromophenyl)-2-methylpropyl]morpholine-4-carboximidamide;hydroiodide
CID 111070095
N'-[2-(4-ethylphenyl)-2-methylpropyl]morpholine-4-carboximidamide
CID 111859849
4-(4-chlorophenyl)-N'-(2-ethyl-2-hydroxybutyl)piperazine-1-carboximidamide;hydroiodide
CID 111089094
N'-[(4-tert-butylphenyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 111045453
N'-[3-(4-chlorophenyl)propyl]morpholine-4-carboximidamide
CID 100674114
N'-[2-ethyl-2-(1-phenylethylamino)butyl]morpholine-4-carboximidamide;hydroiodide
CID 111810353
N'-[2-(3-bromophenyl)-2-methylpropyl]morpholine-4-carboximidamide;hydroiodide
CID 111096268
N'-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]piperidine-1-carboximidamide
CID 111087099
N'-(2-hydroxy-2-thiophen-3-ylpropyl)morpholine-4-carboximidamide;hydroiodide
CID 111823918
4-(4-chlorophenyl)-N'-propylpiperazine-1-carboximidamide;hydroiodide
CID 110911931
N'-ethyl-1,4-oxazepane-4-carboximidamide
CID 62972618

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chlorophenyl)-2-ethylbutyl]morpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-(4-chlorophenyl)-2-ethylbutyl]morpholine-4-carboximidamide;hydroiodide (CID 111097140) is N'-[2-(4-chlorophenyl)-2-ethylbutyl]morpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-(4-chlorophenyl)-2-ethylbutyl]morpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-(4-chlorophenyl)-2-ethylbutyl]morpholine-4-carboximidamide;hydroiodide is CCC(CC)(C/N=C(\N)N1CCOCC1)c1ccc(Cl)cc1.I.
What is the InChIKey of N'-[2-(4-chlorophenyl)-2-ethylbutyl]morpholine-4-carboximidamide;hydroiodide?
The InChIKey is VCHWIMSHNJGCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3O.HI/c1-3-17(4-2,14-5-7-15(18)8-6-14)13-20-16(19)21-9-11-22-12-10-21;/h5-8H,3-4,9-13H2,1-2H3,(H2,19,20);1H.
What are the key properties of N'-[2-(4-chlorophenyl)-2-ethylbutyl]morpholine-4-carboximidamide;hydroiodide?
N'-[2-(4-chlorophenyl)-2-ethylbutyl]morpholine-4-carboximidamide;hydroiodide has a molecular weight of 451.78 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chlorophenyl)-2-ethylbutyl]morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 111097140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).