2-cyclopentyl-1-(5-iodothiophen-3-yl)ethanamine

C11H16INS — CID 115847501

IUPAC2-cyclopentyl-1-(5-iodothiophen-3-yl)ethanamine
SMILESNC(CC1CCCC1)c1csc(I)c1
InChIInChI=1S/C11H16INS/c12-11-6-9(7-14-11)10(13)5-8-3-1-2-4-8/h6-8,10H,1-5,13H2
InChIKeyWVQSMXKJCLXKOX-UHFFFAOYSA-N
MW321.23 g/mol
LogP3.93
Rot. Bonds3

About 2-cyclopentyl-1-(5-iodothiophen-3-yl)ethanamine

2-cyclopentyl-1-(5-iodothiophen-3-yl)ethanamine (PubChem CID 115847501) has the molecular formula C11H16INS and a molecular weight of 321.23 g/mol. Its IUPAC name is 2-cyclopentyl-1-(5-iodothiophen-3-yl)ethanamine.

Molecular Properties

Compound Name2-cyclopentyl-1-(5-iodothiophen-3-yl)ethanamine
PubChem CID115847501
Molecular FormulaC11H16INS
Molecular Weight321.23 g/mol
Exact Mass321.00
IUPAC Name2-cyclopentyl-1-(5-iodothiophen-3-yl)ethanamine
SMILESNC(CC1CCCC1)c1csc(I)c1
InChIInChI=1S/C11H16INS/c12-11-6-9(7-14-11)10(13)5-8-3-1-2-4-8/h6-8,10H,1-5,13H2
InChIKeyWVQSMXKJCLXKOX-UHFFFAOYSA-N
XLogP3.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.23
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Cyclopentyl(thiophen-2-yl)methanamine
CID 22299780
4,4,4-Trifluoro-1-(5-iodothiophen-3-yl)butan-1-amine
CID 104992957
5,5,5-trifluoro-1-(5-iodothiophen-3-yl)-N-methylpentan-1-amine
CID 105023923
5,5,5-trifluoro-1-(5-iodothiophen-3-yl)-N-propylpentan-1-amine
CID 105024063
5,5,5-Trifluoro-1-(5-iodothiophen-3-yl)pentan-1-amine
CID 105024330
Thiophen-3-yl-[2-(trifluoromethyl)cyclohexyl]methanamine
CID 105154049
(4,4-Difluorocyclohexyl)-thiophen-3-ylmethanamine
CID 105154084
Thiophen-3-yl-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105154124
[5,5,5-Trifluoro-1-(5-iodothiophen-3-yl)pentyl]hydrazine
CID 105329032
3-Fluoro-3-thiophen-3-ylcyclopentan-1-amine
CID 112565697
3-Fluoro-3-(thiophen-3-ylmethyl)cyclopentan-1-amine
CID 112565762
3-Fluoro-3-(2-thiophen-3-ylethyl)cyclopentan-1-amine
CID 112565802

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-(5-iodothiophen-3-yl)ethanamine?
The IUPAC name of 2-cyclopentyl-1-(5-iodothiophen-3-yl)ethanamine (CID 115847501) is 2-cyclopentyl-1-(5-iodothiophen-3-yl)ethanamine.
What is the SMILES notation for 2-cyclopentyl-1-(5-iodothiophen-3-yl)ethanamine?
The canonical SMILES for 2-cyclopentyl-1-(5-iodothiophen-3-yl)ethanamine is NC(CC1CCCC1)c1csc(I)c1.
What is the InChIKey of 2-cyclopentyl-1-(5-iodothiophen-3-yl)ethanamine?
The InChIKey is WVQSMXKJCLXKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16INS/c12-11-6-9(7-14-11)10(13)5-8-3-1-2-4-8/h6-8,10H,1-5,13H2.
What are the key properties of 2-cyclopentyl-1-(5-iodothiophen-3-yl)ethanamine?
2-cyclopentyl-1-(5-iodothiophen-3-yl)ethanamine has a molecular weight of 321.23 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-(5-iodothiophen-3-yl)ethanamine is sourced from PubChem (CID 115847501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).