N-[(4-bromothiophen-2-yl)methyl]-2-(cyclopenten-1-yl)ethanamine

C12H16BrNS — CID 115762886

IUPACN-[(4-bromothiophen-2-yl)methyl]-2-(cyclopenten-1-yl)ethanamine
SMILESBrc1csc(CNCCC2=CCCC2)c1
InChIInChI=1S/C12H16BrNS/c13-11-7-12(15-9-11)8-14-6-5-10-3-1-2-4-10/h3,7,9,14H,1-2,4-6,8H2
InChIKeyDPSQHMFZARSXBR-UHFFFAOYSA-N
MW286.24 g/mol
LogP4.10
Rot. Bonds5

About N-[(4-bromothiophen-2-yl)methyl]-2-(cyclopenten-1-yl)ethanamine

N-[(4-bromothiophen-2-yl)methyl]-2-(cyclopenten-1-yl)ethanamine (PubChem CID 115762886) has the molecular formula C12H16BrNS and a molecular weight of 286.24 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-2-(cyclopenten-1-yl)ethanamine.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-2-(cyclopenten-1-yl)ethanamine
PubChem CID115762886
Molecular FormulaC12H16BrNS
Molecular Weight286.24 g/mol
Exact Mass285.02
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-2-(cyclopenten-1-yl)ethanamine
SMILESBrc1csc(CNCCC2=CCCC2)c1
InChIInChI=1S/C12H16BrNS/c13-11-7-12(15-9-11)8-14-6-5-10-3-1-2-4-10/h3,7,9,14H,1-2,4-6,8H2
InChIKeyDPSQHMFZARSXBR-UHFFFAOYSA-N
XLogP4.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.24
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[[2-(cyclopenten-1-yl)ethylamino]methyl]thiophene-3-carbonitrile
CID 115762936
2-(5-bromofuran-2-yl)-N-[(4-bromothiophen-2-yl)methyl]ethanamine
CID 115732892
2-(cyclohexen-1-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 17206598
4-[[2-(cyclopenten-1-yl)ethylamino]methyl]-1,3-thiazole-2-carboxylic acid
CID 106178052
5-bromo-N-[(4-bromothiophen-2-yl)methyl]pentan-1-amine
CID 107320315
N-[(2-bromo-3-fluorophenyl)methyl]-2-(cyclopenten-1-yl)ethanamine
CID 114153936
2-(cyclohexen-1-yl)-N-[[3-[[2-(cyclohexen-1-yl)ethylamino]methyl]phenyl]methyl]ethanamine
CID 142601205
2-(cyclopenten-1-yl)-N-[(3-methylphenyl)methyl]ethanamine
CID 115762870
N-[(4-bromothiophen-2-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 78911495
2-(cyclopenten-1-yl)-N-[(5-iodofuran-2-yl)methyl]ethanamine
CID 106169331
2-(cyclohexen-1-yl)-N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]ethanamine
CID 17210373
2-(cyclopenten-1-yl)-N-(naphthalen-2-ylmethyl)ethanamine
CID 106169984

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-2-(cyclopenten-1-yl)ethanamine?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-2-(cyclopenten-1-yl)ethanamine (CID 115762886) is N-[(4-bromothiophen-2-yl)methyl]-2-(cyclopenten-1-yl)ethanamine.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-2-(cyclopenten-1-yl)ethanamine?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-2-(cyclopenten-1-yl)ethanamine is Brc1csc(CNCCC2=CCCC2)c1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-2-(cyclopenten-1-yl)ethanamine?
The InChIKey is DPSQHMFZARSXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNS/c13-11-7-12(15-9-11)8-14-6-5-10-3-1-2-4-10/h3,7,9,14H,1-2,4-6,8H2.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-2-(cyclopenten-1-yl)ethanamine?
N-[(4-bromothiophen-2-yl)methyl]-2-(cyclopenten-1-yl)ethanamine has a molecular weight of 286.24 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-2-(cyclopenten-1-yl)ethanamine is sourced from PubChem (CID 115762886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).