N-[1-(5-bromothiophen-2-yl)ethyl]-3-cyclopentylpropan-1-amine

C14H22BrNS — CID 106008220

IUPACN-[1-(5-bromothiophen-2-yl)ethyl]-3-cyclopentylpropan-1-amine
SMILESCC(NCCCC1CCCC1)c1ccc(Br)s1
InChIInChI=1S/C14H22BrNS/c1-11(13-8-9-14(15)17-13)16-10-4-7-12-5-2-3-6-12/h8-9,11-12,16H,2-7,10H2,1H3
InChIKeyISTDEGAXSMXXMF-UHFFFAOYSA-N
MW316.31 g/mol
LogP5.13
Rot. Bonds6

About N-[1-(5-bromothiophen-2-yl)ethyl]-3-cyclopentylpropan-1-amine

N-[1-(5-bromothiophen-2-yl)ethyl]-3-cyclopentylpropan-1-amine (PubChem CID 106008220) has the molecular formula C14H22BrNS and a molecular weight of 316.31 g/mol. Its IUPAC name is N-[1-(5-bromothiophen-2-yl)ethyl]-3-cyclopentylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(5-bromothiophen-2-yl)ethyl]-3-cyclopentylpropan-1-amine
PubChem CID106008220
Molecular FormulaC14H22BrNS
Molecular Weight316.31 g/mol
Exact Mass315.07
IUPAC NameN-[1-(5-bromothiophen-2-yl)ethyl]-3-cyclopentylpropan-1-amine
SMILESCC(NCCCC1CCCC1)c1ccc(Br)s1
InChIInChI=1S/C14H22BrNS/c1-11(13-8-9-14(15)17-13)16-10-4-7-12-5-2-3-6-12/h8-9,11-12,16H,2-7,10H2,1H3
InChIKeyISTDEGAXSMXXMF-UHFFFAOYSA-N
XLogP5.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.31
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(5-bromothiophen-2-yl)ethyl]-4,4,4-trifluorobutan-1-amine
CID 81343374
N-[1-(5-bromothiophen-2-yl)ethyl]octan-1-amine
CID 115566766
N-[1-(5-bromothiophen-2-yl)ethyl]-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 54898068
cis-(1S,3R)-3-[[[(1S)-1-(5-bromothiophen-2-yl)ethyl]amino]methyl]cyclohexan-1-ol
CID 97322838
1-(5-bromothiophen-2-yl)-N-[(4-ethylcyclohexyl)methyl]ethanamine
CID 63451995
1-(5-bromothiophen-2-yl)-3-cyclopentylpropan-1-amine
CID 61103011
(2R)-4-[[(1R)-1-(5-bromothiophen-2-yl)ethyl]amino]butan-2-ol
CID 96784283
(1R)-1-(5-bromothiophen-2-yl)-N-(2-methoxyethyl)ethanamine
CID 93424951
(2S)-4-[[(1R)-1-(5-bromothiophen-2-yl)ethyl]amino]butan-2-ol
CID 96784282
3-cyclotetradecyl-N-propan-2-ylpropan-1-amine
CID 91804535
N-[1-(3-bromothiophen-2-yl)ethyl]-3-cyclopropylpropan-1-amine
CID 115890816
(1S)-N-[1-(5-bromothiophen-2-yl)ethyl]-1-cyclohexylethanamine
CID 81386958

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromothiophen-2-yl)ethyl]-3-cyclopentylpropan-1-amine?
The IUPAC name of N-[1-(5-bromothiophen-2-yl)ethyl]-3-cyclopentylpropan-1-amine (CID 106008220) is N-[1-(5-bromothiophen-2-yl)ethyl]-3-cyclopentylpropan-1-amine.
What is the SMILES notation for N-[1-(5-bromothiophen-2-yl)ethyl]-3-cyclopentylpropan-1-amine?
The canonical SMILES for N-[1-(5-bromothiophen-2-yl)ethyl]-3-cyclopentylpropan-1-amine is CC(NCCCC1CCCC1)c1ccc(Br)s1.
What is the InChIKey of N-[1-(5-bromothiophen-2-yl)ethyl]-3-cyclopentylpropan-1-amine?
The InChIKey is ISTDEGAXSMXXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNS/c1-11(13-8-9-14(15)17-13)16-10-4-7-12-5-2-3-6-12/h8-9,11-12,16H,2-7,10H2,1H3.
What are the key properties of N-[1-(5-bromothiophen-2-yl)ethyl]-3-cyclopentylpropan-1-amine?
N-[1-(5-bromothiophen-2-yl)ethyl]-3-cyclopentylpropan-1-amine has a molecular weight of 316.31 g/mol, XLogP of 5.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromothiophen-2-yl)ethyl]-3-cyclopentylpropan-1-amine is sourced from PubChem (CID 106008220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).