3-(4-methoxyphenyl)-N'-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrrolidine-1-carboximidamide;hydroiodide

C21H35IN4O2 — CID 111731772

IUPAC3-(4-methoxyphenyl)-N'-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCC(C)(C)N1CCOCC1)N1CCC(c2ccc(OC)cc2)C1.I
InChIInChI=1S/C21H34N4O2.HI/c1-21(2,25-11-13-27-14-12-25)16-23-20(22-3)24-10-9-18(15-24)17-5-7-19(26-4)8-6-17;/h5-8,18H,9-16H2,1-4H3,(H,22,23);1H
InChIKeyAWOGMRUMUWIINC-UHFFFAOYSA-N
MW502.44 g/mol
LogP2.79
Rot. Bonds5

About 3-(4-methoxyphenyl)-N'-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrrolidine-1-carboximidamide;hydroiodide

3-(4-methoxyphenyl)-N'-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrrolidine-1-carboximidamide;hydroiodide (PubChem CID 111731772) has the molecular formula C21H35IN4O2 and a molecular weight of 502.44 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N'-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrrolidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N'-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
PubChem CID111731772
Molecular FormulaC21H35IN4O2
Molecular Weight502.44 g/mol
Exact Mass502.18
IUPAC Name3-(4-methoxyphenyl)-N'-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCC(C)(C)N1CCOCC1)N1CCC(c2ccc(OC)cc2)C1.I
InChIInChI=1S/C21H34N4O2.HI/c1-21(2,25-11-13-27-14-12-25)16-23-20(22-3)24-10-9-18(15-24)17-5-7-19(26-4)8-6-17;/h5-8,18H,9-16H2,1-4H3,(H,22,23);1H
InChIKeyAWOGMRUMUWIINC-UHFFFAOYSA-N
XLogP2.79
TPSA49.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.44
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

3-(4-methoxyphenyl)-N'-methyl-N-[(4-morpholin-4-ylphenyl)methyl]pyrrolidine-1-carboximidamide
CID 111731621
3-(4-methoxyphenyl)-N'-methyl-N-propylpyrrolidine-1-carboximidamide
CID 111731071
3-(4-methoxyphenyl)-N'-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 119142828
N-(2-ethylbutyl)-3-(4-methoxyphenyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111994700
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111723694
3-(4-methoxyphenyl)-N'-methyl-N-[2-(oxolan-2-yl)ethyl]pyrrolidine-1-carboximidamide
CID 111731377
N-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111732092
N-(5-methoxypentyl)-3-(4-methoxyphenyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111731444
N'-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboximidamide;hydroiodide
CID 119144781
tert-butyl N-[2-[[C-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-N-methylcarbonimidoyl]amino]ethyl]-N-methylcarbamate;hydroiodide
CID 111732084
3-(4-methoxyphenyl)-N'-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111731780
methyl 5-[[C-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-N-methylcarbonimidoyl]amino]pentanoate;hydroiodide
CID 111732242

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N'-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrrolidine-1-carboximidamide;hydroiodide?
The IUPAC name of 3-(4-methoxyphenyl)-N'-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrrolidine-1-carboximidamide;hydroiodide (CID 111731772) is 3-(4-methoxyphenyl)-N'-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrrolidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N'-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrrolidine-1-carboximidamide;hydroiodide?
The canonical SMILES for 3-(4-methoxyphenyl)-N'-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrrolidine-1-carboximidamide;hydroiodide is C/N=C(\NCC(C)(C)N1CCOCC1)N1CCC(c2ccc(OC)cc2)C1.I.
What is the InChIKey of 3-(4-methoxyphenyl)-N'-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrrolidine-1-carboximidamide;hydroiodide?
The InChIKey is AWOGMRUMUWIINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O2.HI/c1-21(2,25-11-13-27-14-12-25)16-23-20(22-3)24-10-9-18(15-24)17-5-7-19(26-4)8-6-17;/h5-8,18H,9-16H2,1-4H3,(H,22,23);1H.
What are the key properties of 3-(4-methoxyphenyl)-N'-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrrolidine-1-carboximidamide;hydroiodide?
3-(4-methoxyphenyl)-N'-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrrolidine-1-carboximidamide;hydroiodide has a molecular weight of 502.44 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N'-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrrolidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111731772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).