3-(methoxymethyl)-N'-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-1-carboximidamide

C13H23N5O — CID 119143572

IUPAC3-(methoxymethyl)-N'-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-1-carboximidamide
SMILESC/N=C(\NCc1nccn1C)N1CCC(COC)C1
InChIInChI=1S/C13H23N5O/c1-14-13(16-8-12-15-5-7-17(12)2)18-6-4-11(9-18)10-19-3/h5,7,11H,4,6,8-10H2,1-3H3,(H,14,16)
InChIKeySVFOFKXDVSYLHJ-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.46
Rot. Bonds4

About 3-(methoxymethyl)-N'-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-1-carboximidamide

3-(methoxymethyl)-N'-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-1-carboximidamide (PubChem CID 119143572) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-(methoxymethyl)-N'-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-1-carboximidamide.

Molecular Properties

Compound Name3-(methoxymethyl)-N'-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-1-carboximidamide
PubChem CID119143572
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name3-(methoxymethyl)-N'-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-1-carboximidamide
SMILESC/N=C(\NCc1nccn1C)N1CCC(COC)C1
InChIInChI=1S/C13H23N5O/c1-14-13(16-8-12-15-5-7-17(12)2)18-6-4-11(9-18)10-19-3/h5,7,11H,4,6,8-10H2,1-3H3,(H,14,16)
InChIKeySVFOFKXDVSYLHJ-UHFFFAOYSA-N
XLogP0.46
TPSA54.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 119143399
3-(methoxymethyl)-N'-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-1-carboximidamide
CID 111736285
N'-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-(2-methylphenyl)pyrrolidine-1-carboximidamide
CID 119142953
3-(methoxymethyl)-N-[[4-(methoxymethyl)phenyl]methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111737766
3-(methoxymethyl)-N-[(4-methoxyphenyl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111737722
3-(methoxymethyl)-N'-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 119143459
3-(methoxymethyl)-N'-methyl-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboximidamide
CID 111735055
3-(methoxymethyl)-N'-methyl-N-(thiophen-3-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111736406
3-(methoxymethyl)-N'-methyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-1-carboximidamide
CID 111736627
N-amino-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide
CID 104882303
methyl 4-[[[C-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methylcarbonimidoyl]amino]methyl]benzoate
CID 111735073
N-[(3,4-dimethoxyphenyl)methyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide
CID 111737077

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-N'-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-1-carboximidamide?
The IUPAC name of 3-(methoxymethyl)-N'-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-1-carboximidamide (CID 119143572) is 3-(methoxymethyl)-N'-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-1-carboximidamide.
What is the SMILES notation for 3-(methoxymethyl)-N'-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-1-carboximidamide?
The canonical SMILES for 3-(methoxymethyl)-N'-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-1-carboximidamide is C/N=C(\NCc1nccn1C)N1CCC(COC)C1.
What is the InChIKey of 3-(methoxymethyl)-N'-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-1-carboximidamide?
The InChIKey is SVFOFKXDVSYLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-14-13(16-8-12-15-5-7-17(12)2)18-6-4-11(9-18)10-19-3/h5,7,11H,4,6,8-10H2,1-3H3,(H,14,16).
What are the key properties of 3-(methoxymethyl)-N'-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-1-carboximidamide?
3-(methoxymethyl)-N'-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-1-carboximidamide has a molecular weight of 265.36 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-N'-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-1-carboximidamide is sourced from PubChem (CID 119143572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).