N-[(5-bromothiophen-3-yl)-cyclopentylmethyl]ethanamine

C12H18BrNS — CID 105080844

IUPACN-[(5-bromothiophen-3-yl)-cyclopentylmethyl]ethanamine
SMILESCCNC(c1csc(Br)c1)C1CCCC1
InChIInChI=1S/C12H18BrNS/c1-2-14-12(9-5-3-4-6-9)10-7-11(13)15-8-10/h7-9,12,14H,2-6H2,1H3
InChIKeyYLGODKGXTFTKBD-UHFFFAOYSA-N
MW288.25 g/mol
LogP4.35
Rot. Bonds4

About N-[(5-bromothiophen-3-yl)-cyclopentylmethyl]ethanamine

N-[(5-bromothiophen-3-yl)-cyclopentylmethyl]ethanamine (PubChem CID 105080844) has the molecular formula C12H18BrNS and a molecular weight of 288.25 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)-cyclopentylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)-cyclopentylmethyl]ethanamine
PubChem CID105080844
Molecular FormulaC12H18BrNS
Molecular Weight288.25 g/mol
Exact Mass287.03
IUPAC NameN-[(5-bromothiophen-3-yl)-cyclopentylmethyl]ethanamine
SMILESCCNC(c1csc(Br)c1)C1CCCC1
InChIInChI=1S/C12H18BrNS/c1-2-14-12(9-5-3-4-6-9)10-7-11(13)15-8-10/h7-9,12,14H,2-6H2,1H3
InChIKeyYLGODKGXTFTKBD-UHFFFAOYSA-N
XLogP4.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(5-bromothiophen-3-yl)-cyclopentylmethyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-bromothiophen-3-yl)-(oxan-4-yl)methyl]ethanamine
CID 105147150
N-[(5-bromothiophen-3-yl)-cyclopropylmethyl]propan-1-amine
CID 105157272
[(5-bromothiophen-3-yl)-cycloheptylmethyl]hydrazine
CID 105330730
N-[(5-bromothiophen-3-yl)-(4-ethylcyclohexyl)methyl]propan-1-amine
CID 105155352
N-[(4-bromo-3,5-dimethylphenyl)-cycloheptylmethyl]ethanamine
CID 114330720
1-(5-bromothiophen-3-yl)-1-cyclopropyl-N-methylmethanamine
CID 105157259
N-[cyclooctyl-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 80609279
N-[(5-iodothiophen-3-yl)-(4-methylcyclohexyl)methyl]ethanamine
CID 104988096
N-[(3-bromo-4-fluorophenyl)-cyclohexylmethyl]ethanamine
CID 79747514
1-(5-bromothiophen-3-yl)-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 105153841
N-[cyclopentyl-(3-fluoro-5-methylphenyl)methyl]ethanamine
CID 79704680
N-[cyclooctyl-(4-fluoro-3,5-dimethylphenyl)methyl]ethanamine
CID 65299109

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)-cyclopentylmethyl]ethanamine?
The IUPAC name of N-[(5-bromothiophen-3-yl)-cyclopentylmethyl]ethanamine (CID 105080844) is N-[(5-bromothiophen-3-yl)-cyclopentylmethyl]ethanamine.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)-cyclopentylmethyl]ethanamine?
The canonical SMILES for N-[(5-bromothiophen-3-yl)-cyclopentylmethyl]ethanamine is CCNC(c1csc(Br)c1)C1CCCC1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)-cyclopentylmethyl]ethanamine?
The InChIKey is YLGODKGXTFTKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNS/c1-2-14-12(9-5-3-4-6-9)10-7-11(13)15-8-10/h7-9,12,14H,2-6H2,1H3.
What are the key properties of N-[(5-bromothiophen-3-yl)-cyclopentylmethyl]ethanamine?
N-[(5-bromothiophen-3-yl)-cyclopentylmethyl]ethanamine has a molecular weight of 288.25 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)-cyclopentylmethyl]ethanamine is sourced from PubChem (CID 105080844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).