3-(ethoxymethyl)-N'-methyl-N-(naphthalen-2-ylmethyl)pyrrolidine-1-carboximidamide

C20H27N3O — CID 111997699

IUPAC3-(ethoxymethyl)-N'-methyl-N-(naphthalen-2-ylmethyl)pyrrolidine-1-carboximidamide
SMILESCCOCC1CCN(/C(=N\C)NCc2ccc3ccccc3c2)C1
InChIInChI=1S/C20H27N3O/c1-3-24-15-17-10-11-23(14-17)20(21-2)22-13-16-8-9-18-6-4-5-7-19(18)12-16/h4-9,12,17H,3,10-11,13-15H2,1-2H3,(H,21,22)
InChIKeyZIUAKTXGHCCSHP-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.27
Rot. Bonds5

About 3-(ethoxymethyl)-N'-methyl-N-(naphthalen-2-ylmethyl)pyrrolidine-1-carboximidamide

3-(ethoxymethyl)-N'-methyl-N-(naphthalen-2-ylmethyl)pyrrolidine-1-carboximidamide (PubChem CID 111997699) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 3-(ethoxymethyl)-N'-methyl-N-(naphthalen-2-ylmethyl)pyrrolidine-1-carboximidamide.

Molecular Properties

Compound Name3-(ethoxymethyl)-N'-methyl-N-(naphthalen-2-ylmethyl)pyrrolidine-1-carboximidamide
PubChem CID111997699
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name3-(ethoxymethyl)-N'-methyl-N-(naphthalen-2-ylmethyl)pyrrolidine-1-carboximidamide
SMILESCCOCC1CCN(/C(=N\C)NCc2ccc3ccccc3c2)C1
InChIInChI=1S/C20H27N3O/c1-3-24-15-17-10-11-23(14-17)20(21-2)22-13-16-8-9-18-6-4-5-7-19(18)12-16/h4-9,12,17H,3,10-11,13-15H2,1-2H3,(H,21,22)
InChIKeyZIUAKTXGHCCSHP-UHFFFAOYSA-N
XLogP3.27
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.27
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'}

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Related Compounds

N-[[4-(ethoxymethyl)phenyl]methyl]-N'-methyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111526281
N-[(4-methoxyphenyl)methyl]-N'-methyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide
CID 111526725
3-(methoxymethyl)-N-[(4-methoxyphenyl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111737722
N-[[2-(ethoxymethyl)phenyl]methyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide
CID 111736401
3-(methoxymethyl)-N'-methyl-N-[(4-phenoxyphenyl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111736742
N-[(3,4-dimethoxyphenyl)methyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide
CID 111737077
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-N'-methyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide
CID 111526104
N-[[3-(difluoromethoxy)phenyl]methyl]-N'-methyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide
CID 111527193
N-[(3-fluorophenyl)methyl]-3-(2-methoxyethoxymethyl)-N'-methylpyrrolidine-1-carboximidamide
CID 111746768
N-[[4-(dimethylamino)phenyl]methyl]-N'-methyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111526218
N-ethyl-N'-methyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111525711
N'-methyl-N-[(3-nitrophenyl)methyl]-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide
CID 111527333

Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethyl)-N'-methyl-N-(naphthalen-2-ylmethyl)pyrrolidine-1-carboximidamide?
The IUPAC name of 3-(ethoxymethyl)-N'-methyl-N-(naphthalen-2-ylmethyl)pyrrolidine-1-carboximidamide (CID 111997699) is 3-(ethoxymethyl)-N'-methyl-N-(naphthalen-2-ylmethyl)pyrrolidine-1-carboximidamide.
What is the SMILES notation for 3-(ethoxymethyl)-N'-methyl-N-(naphthalen-2-ylmethyl)pyrrolidine-1-carboximidamide?
The canonical SMILES for 3-(ethoxymethyl)-N'-methyl-N-(naphthalen-2-ylmethyl)pyrrolidine-1-carboximidamide is CCOCC1CCN(/C(=N\C)NCc2ccc3ccccc3c2)C1.
What is the InChIKey of 3-(ethoxymethyl)-N'-methyl-N-(naphthalen-2-ylmethyl)pyrrolidine-1-carboximidamide?
The InChIKey is ZIUAKTXGHCCSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-3-24-15-17-10-11-23(14-17)20(21-2)22-13-16-8-9-18-6-4-5-7-19(18)12-16/h4-9,12,17H,3,10-11,13-15H2,1-2H3,(H,21,22).
What are the key properties of 3-(ethoxymethyl)-N'-methyl-N-(naphthalen-2-ylmethyl)pyrrolidine-1-carboximidamide?
3-(ethoxymethyl)-N'-methyl-N-(naphthalen-2-ylmethyl)pyrrolidine-1-carboximidamide has a molecular weight of 325.46 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)-N'-methyl-N-(naphthalen-2-ylmethyl)pyrrolidine-1-carboximidamide is sourced from PubChem (CID 111997699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).