N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide

C23H30IN3O — CID 111724296

IUPACN-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NCC1(c2ccccc2OC)CC1)N1CCC(c2ccccc2)C1.I
InChIInChI=1S/C23H29N3O.HI/c1-24-22(26-15-12-19(16-26)18-8-4-3-5-9-18)25-17-23(13-14-23)20-10-6-7-11-21(20)27-2;/h3-11,19H,12-17H2,1-2H3,(H,24,25);1H
InChIKeyXXILXSGABGBACL-UHFFFAOYSA-N
MW491.42 g/mol
LogP4.41
Rot. Bonds5

About N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide

N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide (PubChem CID 111724296) has the molecular formula C23H30IN3O and a molecular weight of 491.42 g/mol. Its IUPAC name is N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
PubChem CID111724296
Molecular FormulaC23H30IN3O
Molecular Weight491.42 g/mol
Exact Mass491.14
IUPAC NameN-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NCC1(c2ccccc2OC)CC1)N1CCC(c2ccccc2)C1.I
InChIInChI=1S/C23H29N3O.HI/c1-24-22(26-15-12-19(16-26)18-8-4-3-5-9-18)25-17-23(13-14-23)20-10-6-7-11-21(20)27-2;/h3-11,19H,12-17H2,1-2H3,(H,24,25);1H
InChIKeyXXILXSGABGBACL-UHFFFAOYSA-N
XLogP4.41
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.42
LogP ≤ 54.41
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

3-(methoxymethyl)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111736022
methyl 1-[N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111253426
N'-methyl-3-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-1-carboximidamide
CID 111722951
N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide
CID 109487472
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide
CID 111722963
N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984479
N-[[2-(methoxymethyl)phenyl]methyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111723934
N-ethyl-N'-methyl-3-phenylpyrrolidine-1-carboximidamide
CID 111722745
N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 110984480
N'-methyl-3-phenyl-N-prop-2-enylpyrrolidine-1-carboximidamide;hydroiodide
CID 111722886
N'-methyl-N-(2-phenoxyethyl)-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111723460
N'-methyl-3-phenyl-N-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111723824

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide (CID 111724296) is N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide is C/N=C(/NCC1(c2ccccc2OC)CC1)N1CCC(c2ccccc2)C1.I.
What is the InChIKey of N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide?
The InChIKey is XXILXSGABGBACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O.HI/c1-24-22(26-15-12-19(16-26)18-8-4-3-5-9-18)25-17-23(13-14-23)20-10-6-7-11-21(20)27-2;/h3-11,19H,12-17H2,1-2H3,(H,24,25);1H.
What are the key properties of N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide?
N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide has a molecular weight of 491.42 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111724296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).