N'-ethyl-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide

C11H24IN3O2 — CID 86778351

IUPACN'-ethyl-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
SMILESCC/N=C(\N)N1CCC(COCCOC)C1.I
InChIInChI=1S/C11H23N3O2.HI/c1-3-13-11(12)14-5-4-10(8-14)9-16-7-6-15-2;/h10H,3-9H2,1-2H3,(H2,12,13);1H
InChIKeyYLBGRLUFNNQGNC-UHFFFAOYSA-N
MW357.24 g/mol
LogP0.92
Rot. Bonds6

About N'-ethyl-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide

N'-ethyl-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide (PubChem CID 86778351) has the molecular formula C11H24IN3O2 and a molecular weight of 357.24 g/mol. Its IUPAC name is N'-ethyl-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-ethyl-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
PubChem CID86778351
Molecular FormulaC11H24IN3O2
Molecular Weight357.24 g/mol
Exact Mass357.09
IUPAC NameN'-ethyl-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
SMILESCC/N=C(\N)N1CCC(COCCOC)C1.I
InChIInChI=1S/C11H23N3O2.HI/c1-3-13-11(12)14-5-4-10(8-14)9-16-7-6-15-2;/h10H,3-9H2,1-2H3,(H2,12,13);1H
InChIKeyYLBGRLUFNNQGNC-UHFFFAOYSA-N
XLogP0.92
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.24
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze N'-ethyl-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide 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 N'-ethyl-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-ethyl-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide (CID 86778351) is N'-ethyl-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-ethyl-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-ethyl-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide is CC/N=C(\N)N1CCC(COCCOC)C1.I.
What is the InChIKey of N'-ethyl-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide?
The InChIKey is YLBGRLUFNNQGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2.HI/c1-3-13-11(12)14-5-4-10(8-14)9-16-7-6-15-2;/h10H,3-9H2,1-2H3,(H2,12,13);1H.
What are the key properties of N'-ethyl-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide?
N'-ethyl-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide has a molecular weight of 357.24 g/mol, XLogP of 0.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 86778351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).