3-(4-bromothiophen-3-yl)-N,3-dimethylcyclopentan-1-amine

C11H16BrNS — CID 116539257

IUPAC3-(4-bromothiophen-3-yl)-N,3-dimethylcyclopentan-1-amine
SMILESCNC1CCC(C)(c2cscc2Br)C1
InChIInChI=1S/C11H16BrNS/c1-11(4-3-8(5-11)13-2)9-6-14-7-10(9)12/h6-8,13H,3-5H2,1-2H3
InChIKeyREHVIQFOYOBIOH-UHFFFAOYSA-N
MW274.23 g/mol
LogP3.54
Rot. Bonds2

About 3-(4-bromothiophen-3-yl)-N,3-dimethylcyclopentan-1-amine

3-(4-bromothiophen-3-yl)-N,3-dimethylcyclopentan-1-amine (PubChem CID 116539257) has the molecular formula C11H16BrNS and a molecular weight of 274.23 g/mol. Its IUPAC name is 3-(4-bromothiophen-3-yl)-N,3-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(4-bromothiophen-3-yl)-N,3-dimethylcyclopentan-1-amine
PubChem CID116539257
Molecular FormulaC11H16BrNS
Molecular Weight274.23 g/mol
Exact Mass273.02
IUPAC Name3-(4-bromothiophen-3-yl)-N,3-dimethylcyclopentan-1-amine
SMILESCNC1CCC(C)(c2cscc2Br)C1
InChIInChI=1S/C11H16BrNS/c1-11(4-3-8(5-11)13-2)9-6-14-7-10(9)12/h6-8,13H,3-5H2,1-2H3
InChIKeyREHVIQFOYOBIOH-UHFFFAOYSA-N
XLogP3.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromothiophen-3-yl)-N,3-dimethylcyclopentan-1-amine?
The IUPAC name of 3-(4-bromothiophen-3-yl)-N,3-dimethylcyclopentan-1-amine (CID 116539257) is 3-(4-bromothiophen-3-yl)-N,3-dimethylcyclopentan-1-amine.
What is the SMILES notation for 3-(4-bromothiophen-3-yl)-N,3-dimethylcyclopentan-1-amine?
The canonical SMILES for 3-(4-bromothiophen-3-yl)-N,3-dimethylcyclopentan-1-amine is CNC1CCC(C)(c2cscc2Br)C1.
What is the InChIKey of 3-(4-bromothiophen-3-yl)-N,3-dimethylcyclopentan-1-amine?
The InChIKey is REHVIQFOYOBIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNS/c1-11(4-3-8(5-11)13-2)9-6-14-7-10(9)12/h6-8,13H,3-5H2,1-2H3.
What are the key properties of 3-(4-bromothiophen-3-yl)-N,3-dimethylcyclopentan-1-amine?
3-(4-bromothiophen-3-yl)-N,3-dimethylcyclopentan-1-amine has a molecular weight of 274.23 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromothiophen-3-yl)-N,3-dimethylcyclopentan-1-amine is sourced from PubChem (CID 116539257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).