1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-(2-thiophen-2-ylethyl)guanidine;hydroiodide

C18H31IN4S — CID 111919328

IUPAC1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-(2-thiophen-2-ylethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CCc1cccs1)NC1CCN(C2CCCC2)C1.I
InChIInChI=1S/C18H30N4S.HI/c1-2-19-18(20-11-9-17-8-5-13-23-17)21-15-10-12-22(14-15)16-6-3-4-7-16;/h5,8,13,15-16H,2-4,6-7,9-12,14H2,1H3,(H2,19,20,21);1H
InChIKeyOECXPUKPRUQZGI-UHFFFAOYSA-N
MW462.45 g/mol
LogP3.48
Rot. Bonds6

About 1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-(2-thiophen-2-ylethyl)guanidine;hydroiodide

1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-(2-thiophen-2-ylethyl)guanidine;hydroiodide (PubChem CID 111919328) has the molecular formula C18H31IN4S and a molecular weight of 462.45 g/mol. Its IUPAC name is 1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-(2-thiophen-2-ylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-(2-thiophen-2-ylethyl)guanidine;hydroiodide
PubChem CID111919328
Molecular FormulaC18H31IN4S
Molecular Weight462.45 g/mol
Exact Mass462.13
IUPAC Name1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-(2-thiophen-2-ylethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CCc1cccs1)NC1CCN(C2CCCC2)C1.I
InChIInChI=1S/C18H30N4S.HI/c1-2-19-18(20-11-9-17-8-5-13-23-17)21-15-10-12-22(14-15)16-6-3-4-7-16;/h5,8,13,15-16H,2-4,6-7,9-12,14H2,1H3,(H2,19,20,21);1H
InChIKeyOECXPUKPRUQZGI-UHFFFAOYSA-N
XLogP3.48
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.45
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-(2-thiophen-2-ylethyl)guanidine;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

1-ethyl-3-(1-phenylpyrrolidin-3-yl)-2-(2-thiophen-2-ylethyl)guanidine
CID 111909833
2-benzyl-1-(1-cyclopentylpyrrolidin-3-yl)-3-ethylguanidine
CID 111918453
1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-[2-(1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111918736
2-(3-anilinopropyl)-1-(1-cyclopentylpyrrolidin-3-yl)-3-ethylguanidine;hydroiodide
CID 111918994
1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-[2-(3-methyl-4-pyridinyl)ethyl]guanidine;hydroiodide
CID 109405634
1-ethyl-3-(3-methylsulfanylcyclopentyl)-2-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111527898
1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-(2-methoxyethyl)guanidine;hydroiodide
CID 111919980
1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-[2-(1-methylpyrazol-4-yl)ethyl]guanidine
CID 75512627
1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111918812
1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-[3-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine
CID 111919773
1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]guanidine
CID 111920181
1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-(2-methylpropyl)guanidine;hydroiodide
CID 111920186

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-(2-thiophen-2-ylethyl)guanidine;hydroiodide?
The IUPAC name of 1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-(2-thiophen-2-ylethyl)guanidine;hydroiodide (CID 111919328) is 1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-(2-thiophen-2-ylethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-(2-thiophen-2-ylethyl)guanidine;hydroiodide?
The canonical SMILES for 1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-(2-thiophen-2-ylethyl)guanidine;hydroiodide is CCN/C(=N\CCc1cccs1)NC1CCN(C2CCCC2)C1.I.
What is the InChIKey of 1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-(2-thiophen-2-ylethyl)guanidine;hydroiodide?
The InChIKey is OECXPUKPRUQZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4S.HI/c1-2-19-18(20-11-9-17-8-5-13-23-17)21-15-10-12-22(14-15)16-6-3-4-7-16;/h5,8,13,15-16H,2-4,6-7,9-12,14H2,1H3,(H2,19,20,21);1H.
What are the key properties of 1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-(2-thiophen-2-ylethyl)guanidine;hydroiodide?
1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-(2-thiophen-2-ylethyl)guanidine;hydroiodide has a molecular weight of 462.45 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-(2-thiophen-2-ylethyl)guanidine;hydroiodide is sourced from PubChem (CID 111919328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).