N-[2-(dimethylamino)-2-phenylethyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide

C22H31IN4 — CID 111723708

IUPACN-[2-(dimethylamino)-2-phenylethyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCC(c1ccccc1)N(C)C)N1CCC(c2ccccc2)C1.I
InChIInChI=1S/C22H30N4.HI/c1-23-22(24-16-21(25(2)3)19-12-8-5-9-13-19)26-15-14-20(17-26)18-10-6-4-7-11-18;/h4-13,20-21H,14-17H2,1-3H3,(H,23,24);1H
InChIKeyQGXYJJLVPSKQLI-UHFFFAOYSA-N
MW478.42 g/mol
LogP3.97
Rot. Bonds5

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

N-[2-(dimethylamino)-2-phenylethyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide (PubChem CID 111723708) has the molecular formula C22H31IN4 and a molecular weight of 478.42 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-phenylethyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-phenylethyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
PubChem CID111723708
Molecular FormulaC22H31IN4
Molecular Weight478.42 g/mol
Exact Mass478.16
IUPAC NameN-[2-(dimethylamino)-2-phenylethyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCC(c1ccccc1)N(C)C)N1CCC(c2ccccc2)C1.I
InChIInChI=1S/C22H30N4.HI/c1-23-22(24-16-21(25(2)3)19-12-8-5-9-13-19)26-15-14-20(17-26)18-10-6-4-7-11-18;/h4-13,20-21H,14-17H2,1-3H3,(H,23,24);1H
InChIKeyQGXYJJLVPSKQLI-UHFFFAOYSA-N
XLogP3.97
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.42
LogP ≤ 53.97
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-(dimethylamino)-2-phenylethyl]-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
CID 111742267
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111722706
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide
CID 111722963
N-[2-(dimethylamino)-2-phenylethyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111209926
N-[2-(dimethylamino)-2-phenylethyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide
CID 111736721
N'-methyl-N-(2-morpholin-4-yl-2-phenylethyl)-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111722762
N-ethyl-N'-methyl-3-phenylpyrrolidine-1-carboximidamide
CID 111722745
N'-methyl-3-phenyl-N-prop-2-enylpyrrolidine-1-carboximidamide;hydroiodide
CID 111722886
N-[2-(dimethylamino)-2-phenylethyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide
CID 109427759
N'-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111724066
N'-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111723828
N'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]-3-phenylpyrrolidine-1-carboximidamide
CID 111722735

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-phenylethyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-[2-(dimethylamino)-2-phenylethyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide (CID 111723708) is N-[2-(dimethylamino)-2-phenylethyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-[2-(dimethylamino)-2-phenylethyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-[2-(dimethylamino)-2-phenylethyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide is C/N=C(\NCC(c1ccccc1)N(C)C)N1CCC(c2ccccc2)C1.I.
What is the InChIKey of N-[2-(dimethylamino)-2-phenylethyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide?
The InChIKey is QGXYJJLVPSKQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4.HI/c1-23-22(24-16-21(25(2)3)19-12-8-5-9-13-19)26-15-14-20(17-26)18-10-6-4-7-11-18;/h4-13,20-21H,14-17H2,1-3H3,(H,23,24);1H.
What are the key properties of N-[2-(dimethylamino)-2-phenylethyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide?
N-[2-(dimethylamino)-2-phenylethyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide has a molecular weight of 478.42 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-phenylethyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111723708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).