1-cyclopentyl-3-[2-(5-iodothiophen-2-yl)ethyl]-2-methylguanidine

C13H20IN3S — CID 110992087

IUPAC1-cyclopentyl-3-[2-(5-iodothiophen-2-yl)ethyl]-2-methylguanidine
SMILESC/N=C(\NCCc1ccc(I)s1)NC1CCCC1
InChIInChI=1S/C13H20IN3S/c1-15-13(17-10-4-2-3-5-10)16-9-8-11-6-7-12(14)18-11/h6-7,10H,2-5,8-9H2,1H3,(H2,15,16,17)
InChIKeyNZZLJKFNRXNSNZ-UHFFFAOYSA-N
MW377.30 g/mol
LogP3.00
Rot. Bonds4

About 1-cyclopentyl-3-[2-(5-iodothiophen-2-yl)ethyl]-2-methylguanidine

1-cyclopentyl-3-[2-(5-iodothiophen-2-yl)ethyl]-2-methylguanidine (PubChem CID 110992087) has the molecular formula C13H20IN3S and a molecular weight of 377.30 g/mol. Its IUPAC name is 1-cyclopentyl-3-[2-(5-iodothiophen-2-yl)ethyl]-2-methylguanidine.

Molecular Properties

Compound Name1-cyclopentyl-3-[2-(5-iodothiophen-2-yl)ethyl]-2-methylguanidine
PubChem CID110992087
Molecular FormulaC13H20IN3S
Molecular Weight377.30 g/mol
Exact Mass377.04
IUPAC Name1-cyclopentyl-3-[2-(5-iodothiophen-2-yl)ethyl]-2-methylguanidine
SMILESC/N=C(\NCCc1ccc(I)s1)NC1CCCC1
InChIInChI=1S/C13H20IN3S/c1-15-13(17-10-4-2-3-5-10)16-9-8-11-6-7-12(14)18-11/h6-7,10H,2-5,8-9H2,1H3,(H2,15,16,17)
InChIKeyNZZLJKFNRXNSNZ-UHFFFAOYSA-N
XLogP3.00
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.30
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

1-[2-(5-chlorothiophen-2-yl)ethyl]-3-cyclohexyl-2-methylguanidine
CID 110957680
1-[2-(5-iodothiophen-2-yl)ethyl]-2-methyl-3-(3-methylsulfanylcyclopentyl)guanidine;hydroiodide
CID 111529102
1-[2-(5-iodothiophen-2-yl)ethyl]-2-methyl-3-(2-thiophen-2-ylethyl)guanidine
CID 111349158
1-cyclopentyl-3-[2-(4-methoxyphenyl)ethyl]-2-methylguanidine
CID 110991193
1-cyclobutyl-2-methyl-3-[(5-methylthiophen-2-yl)methyl]guanidine
CID 119154470
N-[2-(5-iodothiophen-2-yl)ethyl]-N',4-dimethylpiperidine-1-carboximidamide
CID 111211649
1-cyclohexyl-2-methyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 110957791
1-cyclopentyl-2-methyl-3-[2-(4-methylsulfonylphenyl)ethyl]guanidine
CID 111791010
ethyl 4-[[N-[2-(5-bromothiophen-2-yl)ethyl]-N'-methylcarbamimidoyl]amino]piperidine-1-carboxylate
CID 111328844
1-cyclopentyl-3-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-methylguanidine;hydroiodide
CID 109391303
1-[2-(5-iodothiophen-2-yl)ethyl]-2-methyl-3-[(3-methylthiophen-2-yl)methyl]guanidine
CID 111893103
1-cyclopentyl-3-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-2-methylguanidine
CID 110990983

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[2-(5-iodothiophen-2-yl)ethyl]-2-methylguanidine?
The IUPAC name of 1-cyclopentyl-3-[2-(5-iodothiophen-2-yl)ethyl]-2-methylguanidine (CID 110992087) is 1-cyclopentyl-3-[2-(5-iodothiophen-2-yl)ethyl]-2-methylguanidine.
What is the SMILES notation for 1-cyclopentyl-3-[2-(5-iodothiophen-2-yl)ethyl]-2-methylguanidine?
The canonical SMILES for 1-cyclopentyl-3-[2-(5-iodothiophen-2-yl)ethyl]-2-methylguanidine is C/N=C(\NCCc1ccc(I)s1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[2-(5-iodothiophen-2-yl)ethyl]-2-methylguanidine?
The InChIKey is NZZLJKFNRXNSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20IN3S/c1-15-13(17-10-4-2-3-5-10)16-9-8-11-6-7-12(14)18-11/h6-7,10H,2-5,8-9H2,1H3,(H2,15,16,17).
What are the key properties of 1-cyclopentyl-3-[2-(5-iodothiophen-2-yl)ethyl]-2-methylguanidine?
1-cyclopentyl-3-[2-(5-iodothiophen-2-yl)ethyl]-2-methylguanidine has a molecular weight of 377.30 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[2-(5-iodothiophen-2-yl)ethyl]-2-methylguanidine is sourced from PubChem (CID 110992087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).