N'-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N-ethyl-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide

C20H32IN3O2 — CID 111747371

IUPACN'-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N-ethyl-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC1Cc2ccccc21)N1CCC(COCCOC)C1.I
InChIInChI=1S/C20H31N3O2.HI/c1-3-21-20(22-13-18-12-17-6-4-5-7-19(17)18)23-9-8-16(14-23)15-25-11-10-24-2;/h4-7,16,18H,3,8-15H2,1-2H3,(H,21,22);1H
InChIKeyACOJNUCKLBBMNA-UHFFFAOYSA-N
MW473.40 g/mol
LogP2.89
Rot. Bonds8

About N'-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N-ethyl-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide

N'-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N-ethyl-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide (PubChem CID 111747371) has the molecular formula C20H32IN3O2 and a molecular weight of 473.40 g/mol. Its IUPAC name is N'-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N-ethyl-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N-ethyl-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
PubChem CID111747371
Molecular FormulaC20H32IN3O2
Molecular Weight473.40 g/mol
Exact Mass473.15
IUPAC NameN'-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N-ethyl-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC1Cc2ccccc21)N1CCC(COCCOC)C1.I
InChIInChI=1S/C20H31N3O2.HI/c1-3-21-20(22-13-18-12-17-6-4-5-7-19(17)18)23-9-8-16(14-23)15-25-11-10-24-2;/h4-7,16,18H,3,8-15H2,1-2H3,(H,21,22);1H
InChIKeyACOJNUCKLBBMNA-UHFFFAOYSA-N
XLogP2.89
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.40
LogP ≤ 52.89
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'-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-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

Related Compounds

N-ethyl-3-(2-methoxyethoxymethyl)-N'-[(1-phenylpyrrolidin-3-yl)methyl]pyrrolidine-1-carboximidamide
CID 111747036
N-ethyl-3-(2-methoxyethoxymethyl)-N'-(2-phenylethyl)pyrrolidine-1-carboximidamide
CID 111746227
tert-butyl N-[1-[N'-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N-ethylcarbamimidoyl]pyrrolidin-3-yl]carbamate;hydroiodide
CID 111730192
N-ethyl-3-(2-methoxyethoxymethyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111746458
N'-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N-ethyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109426137
N-ethyl-3-(2-methoxyethoxymethyl)-N'-[3-(2-methoxyethoxy)propyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111747794
N-ethyl-N'-[2-(2-methoxyethoxy)ethyl]-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111526110
N-ethyl-3-(2-methoxyethoxymethyl)-N'-[(1-phenylcyclopropyl)methyl]pyrrolidine-1-carboximidamide
CID 111746992
N-ethyl-3-(2-methoxyethoxymethyl)-N'-[[4-(methoxymethyl)phenyl]methyl]pyrrolidine-1-carboximidamide
CID 111747885
N-ethyl-3-(2-methoxyethoxymethyl)-N'-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111747383
N-ethyl-3-(2-methoxyethoxymethyl)-N'-[2-(N-methylanilino)propyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111745834
N'-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-N-ethyl-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide
CID 111745729

Frequently Asked Questions

What is the IUPAC name of N'-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N-ethyl-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N-ethyl-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide (CID 111747371) is N'-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N-ethyl-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N-ethyl-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N-ethyl-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide is CCN/C(=N\CC1Cc2ccccc21)N1CCC(COCCOC)C1.I.
What is the InChIKey of N'-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N-ethyl-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide?
The InChIKey is ACOJNUCKLBBMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2.HI/c1-3-21-20(22-13-18-12-17-6-4-5-7-19(17)18)23-9-8-16(14-23)15-25-11-10-24-2;/h4-7,16,18H,3,8-15H2,1-2H3,(H,21,22);1H.
What are the key properties of N'-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N-ethyl-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide?
N'-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N-ethyl-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide has a molecular weight of 473.40 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N-ethyl-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111747371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).