3-benzyl-N-(2-methoxyethyl)-N'-methylpyrrolidine-1-carboximidamide

C16H25N3O — CID 111725187

IUPAC3-benzyl-N-(2-methoxyethyl)-N'-methylpyrrolidine-1-carboximidamide
SMILESC/N=C(\NCCOC)N1CCC(Cc2ccccc2)C1
InChIInChI=1S/C16H25N3O/c1-17-16(18-9-11-20-2)19-10-8-15(13-19)12-14-6-4-3-5-7-14/h3-7,15H,8-13H2,1-2H3,(H,17,18)
InChIKeySHICXCVVPAORJK-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.77
Rot. Bonds5

About 3-benzyl-N-(2-methoxyethyl)-N'-methylpyrrolidine-1-carboximidamide

3-benzyl-N-(2-methoxyethyl)-N'-methylpyrrolidine-1-carboximidamide (PubChem CID 111725187) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 3-benzyl-N-(2-methoxyethyl)-N'-methylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound Name3-benzyl-N-(2-methoxyethyl)-N'-methylpyrrolidine-1-carboximidamide
PubChem CID111725187
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name3-benzyl-N-(2-methoxyethyl)-N'-methylpyrrolidine-1-carboximidamide
SMILESC/N=C(\NCCOC)N1CCC(Cc2ccccc2)C1
InChIInChI=1S/C16H25N3O/c1-17-16(18-9-11-20-2)19-10-8-15(13-19)12-14-6-4-3-5-7-14/h3-7,15H,8-13H2,1-2H3,(H,17,18)
InChIKeySHICXCVVPAORJK-UHFFFAOYSA-N
XLogP1.77
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-benzyl-N-[3-(2-methoxyethoxy)propyl]-N'-methylpyrrolidine-1-carboximidamide
CID 111725147
N-(2-methoxyethyl)-N'-methyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide
CID 111526973
N-[2-[[C-(3-benzylpyrrolidin-1-yl)-N-methylcarbonimidoyl]amino]ethyl]-2-methylpropanamide
CID 111724827
methyl 6-[[C-(3-benzylpyrrolidin-1-yl)-N-methylcarbonimidoyl]amino]hexanoate;hydroiodide
CID 111724452
N-[2-[[C-(3-benzylpyrrolidin-1-yl)-N-methylcarbonimidoyl]amino]ethyl]furan-2-carboxamide
CID 111725019
3-benzyl-N'-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidine-1-carboximidamide
CID 111724653
3-benzyl-N'-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111725268
N-[2-(benzenesulfonamido)ethyl]-3-benzyl-N'-methylpyrrolidine-1-carboximidamide
CID 111724699
3-benzyl-N-[3-(furan-2-ylmethoxy)propyl]-N'-methylpyrrolidine-1-carboximidamide
CID 111725593
3-benzyl-N-[4-(4-ethylpiperazin-1-yl)butyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111725338
3-(2-methoxyethoxymethyl)-N'-methyl-N-(4-phenylmethoxybutyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111748026
3-benzyl-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111725044

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N-(2-methoxyethyl)-N'-methylpyrrolidine-1-carboximidamide?
The IUPAC name of 3-benzyl-N-(2-methoxyethyl)-N'-methylpyrrolidine-1-carboximidamide (CID 111725187) is 3-benzyl-N-(2-methoxyethyl)-N'-methylpyrrolidine-1-carboximidamide.
What is the SMILES notation for 3-benzyl-N-(2-methoxyethyl)-N'-methylpyrrolidine-1-carboximidamide?
The canonical SMILES for 3-benzyl-N-(2-methoxyethyl)-N'-methylpyrrolidine-1-carboximidamide is C/N=C(\NCCOC)N1CCC(Cc2ccccc2)C1.
What is the InChIKey of 3-benzyl-N-(2-methoxyethyl)-N'-methylpyrrolidine-1-carboximidamide?
The InChIKey is SHICXCVVPAORJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-17-16(18-9-11-20-2)19-10-8-15(13-19)12-14-6-4-3-5-7-14/h3-7,15H,8-13H2,1-2H3,(H,17,18).
What are the key properties of 3-benzyl-N-(2-methoxyethyl)-N'-methylpyrrolidine-1-carboximidamide?
3-benzyl-N-(2-methoxyethyl)-N'-methylpyrrolidine-1-carboximidamide has a molecular weight of 275.40 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-N-(2-methoxyethyl)-N'-methylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 111725187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).