1-cyclopentyl-3-ethyl-2-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]guanidine;hydroiodide

C19H33IN4OS — CID 111965976

IUPAC1-cyclopentyl-3-ethyl-2-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]guanidine;hydroiodide
SMILESCCN/C(=N\CC(c1cccs1)N1CCOC(C)C1)NC1CCCC1.I
InChIInChI=1S/C19H32N4OS.HI/c1-3-20-19(22-16-7-4-5-8-16)21-13-17(18-9-6-12-25-18)23-10-11-24-15(2)14-23;/h6,9,12,15-17H,3-5,7-8,10-11,13-14H2,1-2H3,(H2,20,21,22);1H
InChIKeyYXFGPMZISDKKJZ-UHFFFAOYSA-N
MW492.47 g/mol
LogP3.63
Rot. Bonds6

About 1-cyclopentyl-3-ethyl-2-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]guanidine;hydroiodide

1-cyclopentyl-3-ethyl-2-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]guanidine;hydroiodide (PubChem CID 111965976) has the molecular formula C19H33IN4OS and a molecular weight of 492.47 g/mol. Its IUPAC name is 1-cyclopentyl-3-ethyl-2-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopentyl-3-ethyl-2-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]guanidine;hydroiodide
PubChem CID111965976
Molecular FormulaC19H33IN4OS
Molecular Weight492.47 g/mol
Exact Mass492.14
IUPAC Name1-cyclopentyl-3-ethyl-2-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]guanidine;hydroiodide
SMILESCCN/C(=N\CC(c1cccs1)N1CCOC(C)C1)NC1CCCC1.I
InChIInChI=1S/C19H32N4OS.HI/c1-3-20-19(22-16-7-4-5-8-16)21-13-17(18-9-6-12-25-18)23-10-11-24-15(2)14-23;/h6,9,12,15-17H,3-5,7-8,10-11,13-14H2,1-2H3,(H2,20,21,22);1H
InChIKeyYXFGPMZISDKKJZ-UHFFFAOYSA-N
XLogP3.63
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.47
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-cyclopentyl-3-ethyl-2-[2-(2-methylmorpholin-4-yl)-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-(3-methylbutyl)-2-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]guanidine;hydroiodide
CID 111965952
1-ethyl-3-(2-methoxyethyl)-2-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]guanidine;hydroiodide
CID 111965892
1-ethyl-2-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-3-prop-2-enylguanidine
CID 111965961
1-cyclopropyl-3-ethyl-2-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 110988881
2-[[(cyclopentylamino)-[[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110036338
1-ethyl-3-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-2-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111966252
1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)-2-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111316497
1-ethyl-2-[(1-hydroxycyclopentyl)methyl]-3-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]guanidine
CID 111997263
1-butan-2-yl-2-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]guanidine
CID 111722041
1-ethyl-3-[(1-methylpiperidin-3-yl)methyl]-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111765046
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]guanidine
CID 111721995
1,3-diethyl-2-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)guanidine
CID 110924782

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-ethyl-2-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]guanidine;hydroiodide?
The IUPAC name of 1-cyclopentyl-3-ethyl-2-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]guanidine;hydroiodide (CID 111965976) is 1-cyclopentyl-3-ethyl-2-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]guanidine;hydroiodide.
What is the SMILES notation for 1-cyclopentyl-3-ethyl-2-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]guanidine;hydroiodide?
The canonical SMILES for 1-cyclopentyl-3-ethyl-2-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]guanidine;hydroiodide is CCN/C(=N\CC(c1cccs1)N1CCOC(C)C1)NC1CCCC1.I.
What is the InChIKey of 1-cyclopentyl-3-ethyl-2-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]guanidine;hydroiodide?
The InChIKey is YXFGPMZISDKKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4OS.HI/c1-3-20-19(22-16-7-4-5-8-16)21-13-17(18-9-6-12-25-18)23-10-11-24-15(2)14-23;/h6,9,12,15-17H,3-5,7-8,10-11,13-14H2,1-2H3,(H2,20,21,22);1H.
What are the key properties of 1-cyclopentyl-3-ethyl-2-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]guanidine;hydroiodide?
1-cyclopentyl-3-ethyl-2-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]guanidine;hydroiodide has a molecular weight of 492.47 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-ethyl-2-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]guanidine;hydroiodide is sourced from PubChem (CID 111965976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).