N-[(5-bromothiophen-2-yl)methyl]-1-cyclopentylethanamine

C12H18BrNS — CID 62632475

IUPACN-[(5-bromothiophen-2-yl)methyl]-1-cyclopentylethanamine
SMILESCC(NCc1ccc(Br)s1)C1CCCC1
InChIInChI=1S/C12H18BrNS/c1-9(10-4-2-3-5-10)14-8-11-6-7-12(13)15-11/h6-7,9-10,14H,2-5,8H2,1H3
InChIKeyRHORWGLGEBDWRF-UHFFFAOYSA-N
MW288.25 g/mol
LogP4.18
Rot. Bonds4

About N-[(5-bromothiophen-2-yl)methyl]-1-cyclopentylethanamine

N-[(5-bromothiophen-2-yl)methyl]-1-cyclopentylethanamine (PubChem CID 62632475) has the molecular formula C12H18BrNS and a molecular weight of 288.25 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-1-cyclopentylethanamine.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-1-cyclopentylethanamine
PubChem CID62632475
Molecular FormulaC12H18BrNS
Molecular Weight288.25 g/mol
Exact Mass287.03
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-1-cyclopentylethanamine
SMILESCC(NCc1ccc(Br)s1)C1CCCC1
InChIInChI=1S/C12H18BrNS/c1-9(10-4-2-3-5-10)14-8-11-6-7-12(13)15-11/h6-7,9-10,14H,2-5,8H2,1H3
InChIKeyRHORWGLGEBDWRF-UHFFFAOYSA-N
XLogP4.18
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 ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-cyclopentyl-N-[(5-ethylthiophen-2-yl)methyl]ethanamine
CID 81386418
5-[(1-cyclopentylethylamino)methyl]thiophene-2-carbonitrile
CID 115675878
N-[(5-bromothiophen-2-yl)methyl]-1-cyclopropylpropan-1-amine
CID 64917586
N-[(4-bromothiophen-2-yl)methyl]-1-cyclohexylethanamine
CID 63478526
2-[5-[[[(1R)-1-cyclohexylethyl]amino]methyl]thiophen-2-yl]acetic acid
CID 82887623
N-[(5-bromothiophen-2-yl)methyl]cyclododecanamine
CID 63452326
(2S)-2-[(5-bromothiophen-2-yl)methylamino]propan-1-ol
CID 93082561
1-cyclohexyl-N-(thiophen-2-ylmethyl)ethanamine
CID 43769306
(2S)-N-[(5-bromothiophen-2-yl)methyl]-3-methylbutan-2-amine
CID 28833502
N-[(5-bromothiophen-2-yl)methyl]-3-methylbutan-2-amine
CID 20748992
methyl 2-[5-[[[(1S)-1-cyclopentylethyl]amino]methyl]thiophen-2-yl]acetate
CID 82888205
1-(2-bicyclo[2.2.1]heptanyl)-N-[(5-bromothiophen-2-yl)methyl]ethanamine
CID 43178335

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-1-cyclopentylethanamine?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-1-cyclopentylethanamine (CID 62632475) is N-[(5-bromothiophen-2-yl)methyl]-1-cyclopentylethanamine.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-1-cyclopentylethanamine?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-1-cyclopentylethanamine is CC(NCc1ccc(Br)s1)C1CCCC1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-1-cyclopentylethanamine?
The InChIKey is RHORWGLGEBDWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNS/c1-9(10-4-2-3-5-10)14-8-11-6-7-12(13)15-11/h6-7,9-10,14H,2-5,8H2,1H3.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-1-cyclopentylethanamine?
N-[(5-bromothiophen-2-yl)methyl]-1-cyclopentylethanamine has a molecular weight of 288.25 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-1-cyclopentylethanamine is sourced from PubChem (CID 62632475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).