1-(5-bromothiophen-2-yl)-3-cyclopentylpropan-1-amine

C12H18BrNS — CID 61103011

IUPAC1-(5-bromothiophen-2-yl)-3-cyclopentylpropan-1-amine
SMILESNC(CCC1CCCC1)c1ccc(Br)s1
InChIInChI=1S/C12H18BrNS/c13-12-8-7-11(15-12)10(14)6-5-9-3-1-2-4-9/h7-10H,1-6,14H2
InChIKeyFWFXEPMDRUHMBZ-UHFFFAOYSA-N
MW288.25 g/mol
LogP4.48
Rot. Bonds4

About 1-(5-bromothiophen-2-yl)-3-cyclopentylpropan-1-amine

1-(5-bromothiophen-2-yl)-3-cyclopentylpropan-1-amine (PubChem CID 61103011) has the molecular formula C12H18BrNS and a molecular weight of 288.25 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-3-cyclopentylpropan-1-amine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-3-cyclopentylpropan-1-amine
PubChem CID61103011
Molecular FormulaC12H18BrNS
Molecular Weight288.25 g/mol
Exact Mass287.03
IUPAC Name1-(5-bromothiophen-2-yl)-3-cyclopentylpropan-1-amine
SMILESNC(CCC1CCCC1)c1ccc(Br)s1
InChIInChI=1S/C12H18BrNS/c13-12-8-7-11(15-12)10(14)6-5-9-3-1-2-4-9/h7-10H,1-6,14H2
InChIKeyFWFXEPMDRUHMBZ-UHFFFAOYSA-N
XLogP4.48
TPSA26.02 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 ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(5-bromothiophen-2-yl)-3-cyclopentylpropan-1-amine 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

1-(5-bromothiophen-2-yl)-3-(oxan-2-yl)propan-1-amine
CID 63951738
1-(4-bromophenyl)-3-cyclopentylpropan-1-amine
CID 43184859
1-(4-bromo-5-methylthiophen-2-yl)-3-cyclopentylpropan-1-amine
CID 102827024
1-(5-bromo-4-methylthiophen-2-yl)-3-cyclopentylpropan-1-amine
CID 79992064
3-cyclopentyl-1-(2,5-dibromothiophen-3-yl)propan-1-amine
CID 43167433
1-(4-bromo-5-chlorothiophen-2-yl)-3-cyclohexylpropan-1-amine
CID 102828089
1-(1-benzothiophen-2-yl)-3-cyclopentylpropan-1-amine
CID 114193144
1-(5-bromothiophen-2-yl)-2-piperidin-2-ylethanamine
CID 116936244
N-[1-(5-bromothiophen-2-yl)ethyl]-3-cyclopentylpropan-1-amine
CID 106008220
(S)-(5-bromothiophen-2-yl)-cyclopentylmethanamine;hydrochloride
CID 171222527
(1S)-1-(5-bromothiophen-2-yl)butane-1,4-diamine;hydrochloride
CID 171222508
3-cyclohexyl-1-phenylpropan-1-amine
CID 43110402

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-3-cyclopentylpropan-1-amine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-3-cyclopentylpropan-1-amine (CID 61103011) is 1-(5-bromothiophen-2-yl)-3-cyclopentylpropan-1-amine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-3-cyclopentylpropan-1-amine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-3-cyclopentylpropan-1-amine is NC(CCC1CCCC1)c1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-3-cyclopentylpropan-1-amine?
The InChIKey is FWFXEPMDRUHMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNS/c13-12-8-7-11(15-12)10(14)6-5-9-3-1-2-4-9/h7-10H,1-6,14H2.
What are the key properties of 1-(5-bromothiophen-2-yl)-3-cyclopentylpropan-1-amine?
1-(5-bromothiophen-2-yl)-3-cyclopentylpropan-1-amine has a molecular weight of 288.25 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-3-cyclopentylpropan-1-amine is sourced from PubChem (CID 61103011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).