3-(2-methoxyethoxymethyl)-N'-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-1-carboximidamide

C15H28F3N3O3 — CID 111746505

IUPAC3-(2-methoxyethoxymethyl)-N'-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-1-carboximidamide
SMILESC/N=C(\NCCCOCC(F)(F)F)N1CCC(COCCOC)C1
InChIInChI=1S/C15H28F3N3O3/c1-19-14(20-5-3-7-24-12-15(16,17)18)21-6-4-13(10-21)11-23-9-8-22-2/h13H,3-12H2,1-2H3,(H,19,20)
InChIKeyQJVHUXSZBZGBIO-UHFFFAOYSA-N
MW355.40 g/mol
LogP1.52
Rot. Bonds10

About 3-(2-methoxyethoxymethyl)-N'-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-1-carboximidamide

3-(2-methoxyethoxymethyl)-N'-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-1-carboximidamide (PubChem CID 111746505) has the molecular formula C15H28F3N3O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is 3-(2-methoxyethoxymethyl)-N'-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-1-carboximidamide.

Molecular Properties

Compound Name3-(2-methoxyethoxymethyl)-N'-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-1-carboximidamide
PubChem CID111746505
Molecular FormulaC15H28F3N3O3
Molecular Weight355.40 g/mol
Exact Mass355.21
IUPAC Name3-(2-methoxyethoxymethyl)-N'-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-1-carboximidamide
SMILESC/N=C(\NCCCOCC(F)(F)F)N1CCC(COCCOC)C1
InChIInChI=1S/C15H28F3N3O3/c1-19-14(20-5-3-7-24-12-15(16,17)18)21-6-4-13(10-21)11-23-9-8-22-2/h13H,3-12H2,1-2H3,(H,19,20)
InChIKeyQJVHUXSZBZGBIO-UHFFFAOYSA-N
XLogP1.52
TPSA55.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}

Analyze 3-(2-methoxyethoxymethyl)-N'-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-1-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxymethyl)-N'-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-1-carboximidamide?
The IUPAC name of 3-(2-methoxyethoxymethyl)-N'-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-1-carboximidamide (CID 111746505) is 3-(2-methoxyethoxymethyl)-N'-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-1-carboximidamide.
What is the SMILES notation for 3-(2-methoxyethoxymethyl)-N'-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-1-carboximidamide?
The canonical SMILES for 3-(2-methoxyethoxymethyl)-N'-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-1-carboximidamide is C/N=C(\NCCCOCC(F)(F)F)N1CCC(COCCOC)C1.
What is the InChIKey of 3-(2-methoxyethoxymethyl)-N'-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-1-carboximidamide?
The InChIKey is QJVHUXSZBZGBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F3N3O3/c1-19-14(20-5-3-7-24-12-15(16,17)18)21-6-4-13(10-21)11-23-9-8-22-2/h13H,3-12H2,1-2H3,(H,19,20).
What are the key properties of 3-(2-methoxyethoxymethyl)-N'-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-1-carboximidamide?
3-(2-methoxyethoxymethyl)-N'-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-1-carboximidamide has a molecular weight of 355.40 g/mol, XLogP of 1.52, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxymethyl)-N'-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-1-carboximidamide is sourced from PubChem (CID 111746505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).