3-cyclopentyl-1-(2,5-dibromothiophen-3-yl)propan-1-amine

C12H17Br2NS — CID 43167433

IUPAC3-cyclopentyl-1-(2,5-dibromothiophen-3-yl)propan-1-amine
SMILESNC(CCC1CCCC1)c1cc(Br)sc1Br
InChIInChI=1S/C12H17Br2NS/c13-11-7-9(12(14)16-11)10(15)6-5-8-3-1-2-4-8/h7-8,10H,1-6,15H2
InChIKeyOXRKDONSIWOTNJ-UHFFFAOYSA-N
MW367.15 g/mol
LogP5.24
Rot. Bonds4

About 3-cyclopentyl-1-(2,5-dibromothiophen-3-yl)propan-1-amine

3-cyclopentyl-1-(2,5-dibromothiophen-3-yl)propan-1-amine (PubChem CID 43167433) has the molecular formula C12H17Br2NS and a molecular weight of 367.15 g/mol. Its IUPAC name is 3-cyclopentyl-1-(2,5-dibromothiophen-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-cyclopentyl-1-(2,5-dibromothiophen-3-yl)propan-1-amine
PubChem CID43167433
Molecular FormulaC12H17Br2NS
Molecular Weight367.15 g/mol
Exact Mass364.94
IUPAC Name3-cyclopentyl-1-(2,5-dibromothiophen-3-yl)propan-1-amine
SMILESNC(CCC1CCCC1)c1cc(Br)sc1Br
InChIInChI=1S/C12H17Br2NS/c13-11-7-9(12(14)16-11)10(15)6-5-8-3-1-2-4-8/h7-8,10H,1-6,15H2
InChIKeyOXRKDONSIWOTNJ-UHFFFAOYSA-N
XLogP5.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.15
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dibromothiophen-3-yl)-3-(oxan-2-yl)propan-1-amine
CID 63951729
1-(5-bromothiophen-2-yl)-3-cyclopentylpropan-1-amine
CID 61103011
1-(5-bromo-4-methylthiophen-2-yl)-3-cyclopentylpropan-1-amine
CID 79992064
1-(4-bromo-5-methylthiophen-2-yl)-3-cyclopentylpropan-1-amine
CID 102827024
1-(2,5-dibromothiophen-3-yl)decan-1-amine
CID 65447630
1-(4-bromo-5-chlorothiophen-2-yl)-3-cyclohexylpropan-1-amine
CID 102828089
1-(2-bromo-4,5-dimethoxyphenyl)-3-cyclohexylpropan-1-amine
CID 43118223
1-(4-bromophenyl)-3-cyclopentylpropan-1-amine
CID 43184859
1-(2,5-dibromothiophen-3-yl)-3-phenylpropan-1-amine
CID 43167403
1-(5-bromo-2-methoxy-4-methylphenyl)-3-cyclopentylpropan-1-amine
CID 65439927
1-(5-bromo-2-methylthiophen-3-yl)-2-cyclobutylethanamine
CID 103163188
1-(2,5-dibromothiophen-3-yl)-4-ethylsulfonylbutan-1-amine
CID 107968351

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-(2,5-dibromothiophen-3-yl)propan-1-amine?
The IUPAC name of 3-cyclopentyl-1-(2,5-dibromothiophen-3-yl)propan-1-amine (CID 43167433) is 3-cyclopentyl-1-(2,5-dibromothiophen-3-yl)propan-1-amine.
What is the SMILES notation for 3-cyclopentyl-1-(2,5-dibromothiophen-3-yl)propan-1-amine?
The canonical SMILES for 3-cyclopentyl-1-(2,5-dibromothiophen-3-yl)propan-1-amine is NC(CCC1CCCC1)c1cc(Br)sc1Br.
What is the InChIKey of 3-cyclopentyl-1-(2,5-dibromothiophen-3-yl)propan-1-amine?
The InChIKey is OXRKDONSIWOTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Br2NS/c13-11-7-9(12(14)16-11)10(15)6-5-8-3-1-2-4-8/h7-8,10H,1-6,15H2.
What are the key properties of 3-cyclopentyl-1-(2,5-dibromothiophen-3-yl)propan-1-amine?
3-cyclopentyl-1-(2,5-dibromothiophen-3-yl)propan-1-amine has a molecular weight of 367.15 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-(2,5-dibromothiophen-3-yl)propan-1-amine is sourced from PubChem (CID 43167433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).