2-[2-(5-bromothiophen-2-yl)ethyl]-1-cyclopentyl-3-ethylguanidine

C14H22BrN3S — CID 110990239

IUPAC2-[2-(5-bromothiophen-2-yl)ethyl]-1-cyclopentyl-3-ethylguanidine
SMILESCCN/C(=N\CCc1ccc(Br)s1)NC1CCCC1
InChIInChI=1S/C14H22BrN3S/c1-2-16-14(18-11-5-3-4-6-11)17-10-9-12-7-8-13(15)19-12/h7-8,11H,2-6,9-10H2,1H3,(H2,16,17,18)
InChIKeyMUKFMBVDWPWUAU-UHFFFAOYSA-N
MW344.32 g/mol
LogP3.55
Rot. Bonds5

About 2-[2-(5-bromothiophen-2-yl)ethyl]-1-cyclopentyl-3-ethylguanidine

2-[2-(5-bromothiophen-2-yl)ethyl]-1-cyclopentyl-3-ethylguanidine (PubChem CID 110990239) has the molecular formula C14H22BrN3S and a molecular weight of 344.32 g/mol. Its IUPAC name is 2-[2-(5-bromothiophen-2-yl)ethyl]-1-cyclopentyl-3-ethylguanidine.

Molecular Properties

Compound Name2-[2-(5-bromothiophen-2-yl)ethyl]-1-cyclopentyl-3-ethylguanidine
PubChem CID110990239
Molecular FormulaC14H22BrN3S
Molecular Weight344.32 g/mol
Exact Mass343.07
IUPAC Name2-[2-(5-bromothiophen-2-yl)ethyl]-1-cyclopentyl-3-ethylguanidine
SMILESCCN/C(=N\CCc1ccc(Br)s1)NC1CCCC1
InChIInChI=1S/C14H22BrN3S/c1-2-16-14(18-11-5-3-4-6-11)17-10-9-12-7-8-13(15)19-12/h7-8,11H,2-6,9-10H2,1H3,(H2,16,17,18)
InChIKeyMUKFMBVDWPWUAU-UHFFFAOYSA-N
XLogP3.55
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.32
LogP ≤ 53.55
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'}

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Related Compounds

2-[2-(5-bromothiophen-2-yl)ethyl]-1-ethyl-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111017408
2-[2-(5-bromothiophen-2-yl)ethyl]-1-ethyl-3-(2-methylcyclopropyl)guanidine;hydroiodide
CID 111863262
N-[2-[[N'-[2-(5-bromothiophen-2-yl)ethyl]-N-ethylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111863265
1-cyclopropyl-2-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-3-ethylguanidine
CID 110989219
1-cyclopentyl-3-ethyl-2-[2-(3-fluorophenyl)ethyl]guanidine
CID 110992329
1-cyclopentyl-2-[2-(2,5-difluorophenyl)ethyl]-3-ethylguanidine;hydroiodide
CID 111965424
1-cyclopentyl-3-ethyl-2-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide
CID 110990984
1-cyclopropyl-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine
CID 110988442
1-cyclopentyl-3-ethyl-2-[(5-ethyl-1,3-thiazol-2-yl)methyl]guanidine
CID 111495840
1-cyclohexyl-3-ethyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine
CID 110956978
1-cyclohexyl-3-ethyl-2-[2-(2,3,4-trimethoxyphenyl)ethyl]guanidine
CID 110957050
1-cyclopentyl-3-ethyl-2-[2-(1H-indol-3-yl)ethyl]guanidine
CID 110990949

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-bromothiophen-2-yl)ethyl]-1-cyclopentyl-3-ethylguanidine?
The IUPAC name of 2-[2-(5-bromothiophen-2-yl)ethyl]-1-cyclopentyl-3-ethylguanidine (CID 110990239) is 2-[2-(5-bromothiophen-2-yl)ethyl]-1-cyclopentyl-3-ethylguanidine.
What is the SMILES notation for 2-[2-(5-bromothiophen-2-yl)ethyl]-1-cyclopentyl-3-ethylguanidine?
The canonical SMILES for 2-[2-(5-bromothiophen-2-yl)ethyl]-1-cyclopentyl-3-ethylguanidine is CCN/C(=N\CCc1ccc(Br)s1)NC1CCCC1.
What is the InChIKey of 2-[2-(5-bromothiophen-2-yl)ethyl]-1-cyclopentyl-3-ethylguanidine?
The InChIKey is MUKFMBVDWPWUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3S/c1-2-16-14(18-11-5-3-4-6-11)17-10-9-12-7-8-13(15)19-12/h7-8,11H,2-6,9-10H2,1H3,(H2,16,17,18).
What are the key properties of 2-[2-(5-bromothiophen-2-yl)ethyl]-1-cyclopentyl-3-ethylguanidine?
2-[2-(5-bromothiophen-2-yl)ethyl]-1-cyclopentyl-3-ethylguanidine has a molecular weight of 344.32 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-bromothiophen-2-yl)ethyl]-1-cyclopentyl-3-ethylguanidine is sourced from PubChem (CID 110990239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).