3-cyclopentyl-2-[2-(furan-2-yl)ethyl]-1-methyl-1-(thiophen-3-ylmethyl)guanidine;hydroiodide

C18H26IN3OS — CID 110053723

IUPAC3-cyclopentyl-2-[2-(furan-2-yl)ethyl]-1-methyl-1-(thiophen-3-ylmethyl)guanidine;hydroiodide
SMILESCN(Cc1ccsc1)/C(=N\CCc1ccco1)NC1CCCC1.I
InChIInChI=1S/C18H25N3OS.HI/c1-21(13-15-9-12-23-14-15)18(20-16-5-2-3-6-16)19-10-8-17-7-4-11-22-17;/h4,7,9,11-12,14,16H,2-3,5-6,8,10,13H2,1H3,(H,19,20);1H
InChIKeyNZZITXMVZXKZOB-UHFFFAOYSA-N
MW459.40 g/mol
LogP4.52
Rot. Bonds6

About 3-cyclopentyl-2-[2-(furan-2-yl)ethyl]-1-methyl-1-(thiophen-3-ylmethyl)guanidine;hydroiodide

3-cyclopentyl-2-[2-(furan-2-yl)ethyl]-1-methyl-1-(thiophen-3-ylmethyl)guanidine;hydroiodide (PubChem CID 110053723) has the molecular formula C18H26IN3OS and a molecular weight of 459.40 g/mol. Its IUPAC name is 3-cyclopentyl-2-[2-(furan-2-yl)ethyl]-1-methyl-1-(thiophen-3-ylmethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name3-cyclopentyl-2-[2-(furan-2-yl)ethyl]-1-methyl-1-(thiophen-3-ylmethyl)guanidine;hydroiodide
PubChem CID110053723
Molecular FormulaC18H26IN3OS
Molecular Weight459.40 g/mol
Exact Mass459.08
IUPAC Name3-cyclopentyl-2-[2-(furan-2-yl)ethyl]-1-methyl-1-(thiophen-3-ylmethyl)guanidine;hydroiodide
SMILESCN(Cc1ccsc1)/C(=N\CCc1ccco1)NC1CCCC1.I
InChIInChI=1S/C18H25N3OS.HI/c1-21(13-15-9-12-23-14-15)18(20-16-5-2-3-6-16)19-10-8-17-7-4-11-22-17;/h4,7,9,11-12,14,16H,2-3,5-6,8,10,13H2,1H3,(H,19,20);1H
InChIKeyNZZITXMVZXKZOB-UHFFFAOYSA-N
XLogP4.52
TPSA40.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.40
LogP ≤ 54.52
H-Bond Donors ≤ 51
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 3-cyclopentyl-2-[2-(furan-2-yl)ethyl]-1-methyl-1-(thiophen-3-ylmethyl)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

2-[2-(furan-2-yl)ethyl]-1-methyl-3-prop-2-enyl-1-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 136920970
1-butyl-3-cyclopentyl-2-[2-(furan-2-yl)ethyl]-1-methylguanidine
CID 110053348
2-[[N-cyclopentyl-N'-[2-(furan-2-yl)ethyl]carbamimidoyl]-methylamino]-N,N-diethylacetamide;hydroiodide
CID 110053281
2-(3-ethoxypropyl)-3-[2-(furan-2-yl)ethyl]-1-methyl-1-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 111375939
1-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-cyclopentyl-2-[2-(furan-2-yl)ethyl]-1-methylguanidine
CID 110061502
3-cyclopentyl-2-[2-(furan-2-yl)ethyl]-1-methyl-1-pent-4-enylguanidine
CID 110057732
1-cyclohexyl-3-cyclopropyl-2-[2-(furan-2-yl)ethyl]guanidine
CID 119115657
1-cyclopentyl-2-[2-(furan-2-yl)ethyl]-3-(4-hydroxycyclohexyl)guanidine
CID 111979545
N-cyclohexyl-N'-[2-(furan-2-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 110956337
1-cyclopentyl-2-[2-(furan-2-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111841705
1-cyclopentyl-3-(1-cyclopropylpiperidin-4-yl)-2-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 110054123
4-acetyl-N-cyclopentyl-N'-[2-(furan-2-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111493547

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-[2-(furan-2-yl)ethyl]-1-methyl-1-(thiophen-3-ylmethyl)guanidine;hydroiodide?
The IUPAC name of 3-cyclopentyl-2-[2-(furan-2-yl)ethyl]-1-methyl-1-(thiophen-3-ylmethyl)guanidine;hydroiodide (CID 110053723) is 3-cyclopentyl-2-[2-(furan-2-yl)ethyl]-1-methyl-1-(thiophen-3-ylmethyl)guanidine;hydroiodide.
What is the SMILES notation for 3-cyclopentyl-2-[2-(furan-2-yl)ethyl]-1-methyl-1-(thiophen-3-ylmethyl)guanidine;hydroiodide?
The canonical SMILES for 3-cyclopentyl-2-[2-(furan-2-yl)ethyl]-1-methyl-1-(thiophen-3-ylmethyl)guanidine;hydroiodide is CN(Cc1ccsc1)/C(=N\CCc1ccco1)NC1CCCC1.I.
What is the InChIKey of 3-cyclopentyl-2-[2-(furan-2-yl)ethyl]-1-methyl-1-(thiophen-3-ylmethyl)guanidine;hydroiodide?
The InChIKey is NZZITXMVZXKZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3OS.HI/c1-21(13-15-9-12-23-14-15)18(20-16-5-2-3-6-16)19-10-8-17-7-4-11-22-17;/h4,7,9,11-12,14,16H,2-3,5-6,8,10,13H2,1H3,(H,19,20);1H.
What are the key properties of 3-cyclopentyl-2-[2-(furan-2-yl)ethyl]-1-methyl-1-(thiophen-3-ylmethyl)guanidine;hydroiodide?
3-cyclopentyl-2-[2-(furan-2-yl)ethyl]-1-methyl-1-(thiophen-3-ylmethyl)guanidine;hydroiodide has a molecular weight of 459.40 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-[2-(furan-2-yl)ethyl]-1-methyl-1-(thiophen-3-ylmethyl)guanidine;hydroiodide is sourced from PubChem (CID 110053723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).