N-[2-(dimethylamino)-2-phenylethyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide

C18H30N4O — CID 111736721

IUPACN-[2-(dimethylamino)-2-phenylethyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide
SMILESC/N=C(/NCC(c1ccccc1)N(C)C)N1CCC(COC)C1
InChIInChI=1S/C18H30N4O/c1-19-18(22-11-10-15(13-22)14-23-4)20-12-17(21(2)3)16-8-6-5-7-9-16/h5-9,15,17H,10-14H2,1-4H3,(H,19,20)
InChIKeyQFXCFPJOSBFWCI-UHFFFAOYSA-N
MW318.46 g/mol
LogP1.83
Rot. Bonds6

About N-[2-(dimethylamino)-2-phenylethyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide

N-[2-(dimethylamino)-2-phenylethyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide (PubChem CID 111736721) has the molecular formula C18H30N4O and a molecular weight of 318.46 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-phenylethyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-phenylethyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide
PubChem CID111736721
Molecular FormulaC18H30N4O
Molecular Weight318.46 g/mol
Exact Mass318.24
IUPAC NameN-[2-(dimethylamino)-2-phenylethyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide
SMILESC/N=C(/NCC(c1ccccc1)N(C)C)N1CCC(COC)C1
InChIInChI=1S/C18H30N4O/c1-19-18(22-11-10-15(13-22)14-23-4)20-12-17(21(2)3)16-8-6-5-7-9-16/h5-9,15,17H,10-14H2,1-4H3,(H,19,20)
InChIKeyQFXCFPJOSBFWCI-UHFFFAOYSA-N
XLogP1.83
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-(dimethylamino)-2-phenylethyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111723708
N-[2-(dimethylamino)-2-phenylethyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111209926
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(2-methoxyethoxymethyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111745970
N-[2-(dimethylamino)-2-phenylethyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide
CID 109427759
3-(methoxymethyl)-N'-methyl-N-[3-(N-methylanilino)propyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111737384
3-(methoxymethyl)-N-[2-(2-methoxyphenyl)propyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111735460
N-[2-(dimethylamino)-2-phenylethyl]-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
CID 111742267
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2-methoxyethoxymethyl)-N'-methylpyrrolidine-1-carboximidamide
CID 111746820
3-(methoxymethyl)-N'-methyl-N-(2-methyl-2-phenylpropyl)pyrrolidine-1-carboximidamide
CID 111736747
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide
CID 111722963
3-(methoxymethyl)-N'-methyl-N-[(4-phenoxyphenyl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111736742
N-[2-[cyclopropyl(methyl)amino]propyl]-N'-methyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide
CID 111525878

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-phenylethyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide?
The IUPAC name of N-[2-(dimethylamino)-2-phenylethyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide (CID 111736721) is N-[2-(dimethylamino)-2-phenylethyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-phenylethyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide?
The canonical SMILES for N-[2-(dimethylamino)-2-phenylethyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide is C/N=C(/NCC(c1ccccc1)N(C)C)N1CCC(COC)C1.
What is the InChIKey of N-[2-(dimethylamino)-2-phenylethyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide?
The InChIKey is QFXCFPJOSBFWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-19-18(22-11-10-15(13-22)14-23-4)20-12-17(21(2)3)16-8-6-5-7-9-16/h5-9,15,17H,10-14H2,1-4H3,(H,19,20).
What are the key properties of N-[2-(dimethylamino)-2-phenylethyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide?
N-[2-(dimethylamino)-2-phenylethyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide has a molecular weight of 318.46 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-phenylethyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 111736721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).