1-(3-bromothiophen-2-yl)-N-[2-(cyclopenten-1-yl)ethyl]ethanamine

C13H18BrNS — CID 106168908

IUPAC1-(3-bromothiophen-2-yl)-N-[2-(cyclopenten-1-yl)ethyl]ethanamine
SMILESCC(NCCC1=CCCC1)c1sccc1Br
InChIInChI=1S/C13H18BrNS/c1-10(13-12(14)7-9-16-13)15-8-6-11-4-2-3-5-11/h4,7,9-10,15H,2-3,5-6,8H2,1H3
InChIKeyOMBDXEONOLLYIR-UHFFFAOYSA-N
MW300.26 g/mol
LogP4.66
Rot. Bonds5

About 1-(3-bromothiophen-2-yl)-N-[2-(cyclopenten-1-yl)ethyl]ethanamine

1-(3-bromothiophen-2-yl)-N-[2-(cyclopenten-1-yl)ethyl]ethanamine (PubChem CID 106168908) has the molecular formula C13H18BrNS and a molecular weight of 300.26 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-N-[2-(cyclopenten-1-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-N-[2-(cyclopenten-1-yl)ethyl]ethanamine
PubChem CID106168908
Molecular FormulaC13H18BrNS
Molecular Weight300.26 g/mol
Exact Mass299.03
IUPAC Name1-(3-bromothiophen-2-yl)-N-[2-(cyclopenten-1-yl)ethyl]ethanamine
SMILESCC(NCCC1=CCCC1)c1sccc1Br
InChIInChI=1S/C13H18BrNS/c1-10(13-12(14)7-9-16-13)15-8-6-11-4-2-3-5-11/h4,7,9-10,15H,2-3,5-6,8H2,1H3
InChIKeyOMBDXEONOLLYIR-UHFFFAOYSA-N
XLogP4.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.26
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-bromofuran-2-yl)-N-[2-(cyclopenten-1-yl)ethyl]ethanamine
CID 115895910
1-(3-bromothiophen-2-yl)-N-(2-thiophen-3-ylethyl)ethanamine
CID 61474936
1-(3-bromothiophen-2-yl)-N-[2-(3-methylphenyl)ethyl]ethanamine
CID 62314813
N-[2-(cyclohexen-1-yl)ethyl]-1-(2,4-dibromophenyl)ethanamine
CID 60781439
1-(3-bromo-4-methoxyphenyl)-N-[2-(cyclopenten-1-yl)ethyl]ethanamine
CID 106170053
1-(3-bromothiophen-2-yl)-N-(2-methylsulfanylethyl)ethanamine
CID 63981561
N-[1-(3-bromothiophen-2-yl)ethyl]-3-piperidin-1-ylpropan-1-amine
CID 43768298
(1S)-N-[2-(cyclohexen-1-yl)ethyl]-1-phenylethanamine
CID 29052043
N-[2-(cyclopenten-1-yl)ethyl]-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 106169289
N-[2-(cyclohexen-1-yl)ethyl]-1-phenylethanamine;hydrobromide
CID 167864484
N-[2-(cyclopenten-1-yl)ethyl]-1-(2,4,6-trimethylphenyl)ethanamine
CID 106169878
N-[2-(cyclopenten-1-yl)ethyl]-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine
CID 113349091

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-N-[2-(cyclopenten-1-yl)ethyl]ethanamine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-N-[2-(cyclopenten-1-yl)ethyl]ethanamine (CID 106168908) is 1-(3-bromothiophen-2-yl)-N-[2-(cyclopenten-1-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-N-[2-(cyclopenten-1-yl)ethyl]ethanamine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-N-[2-(cyclopenten-1-yl)ethyl]ethanamine is CC(NCCC1=CCCC1)c1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-N-[2-(cyclopenten-1-yl)ethyl]ethanamine?
The InChIKey is OMBDXEONOLLYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNS/c1-10(13-12(14)7-9-16-13)15-8-6-11-4-2-3-5-11/h4,7,9-10,15H,2-3,5-6,8H2,1H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-N-[2-(cyclopenten-1-yl)ethyl]ethanamine?
1-(3-bromothiophen-2-yl)-N-[2-(cyclopenten-1-yl)ethyl]ethanamine has a molecular weight of 300.26 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-N-[2-(cyclopenten-1-yl)ethyl]ethanamine is sourced from PubChem (CID 106168908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).