cyclopenten-1-yl-(2,5-dibromothiophen-3-yl)methanamine

C10H11Br2NS — CID 107960917

IUPACcyclopenten-1-yl-(2,5-dibromothiophen-3-yl)methanamine
SMILESNC(C1=CCCC1)c1cc(Br)sc1Br
InChIInChI=1S/C10H11Br2NS/c11-8-5-7(10(12)14-8)9(13)6-3-1-2-4-6/h3,5,9H,1-2,4,13H2
InChIKeyDHTLLHAVWDPPSL-UHFFFAOYSA-N
MW337.08 g/mol
LogP4.38
Rot. Bonds2

About cyclopenten-1-yl-(2,5-dibromothiophen-3-yl)methanamine

cyclopenten-1-yl-(2,5-dibromothiophen-3-yl)methanamine (PubChem CID 107960917) has the molecular formula C10H11Br2NS and a molecular weight of 337.08 g/mol. Its IUPAC name is cyclopenten-1-yl-(2,5-dibromothiophen-3-yl)methanamine.

Molecular Properties

Compound Namecyclopenten-1-yl-(2,5-dibromothiophen-3-yl)methanamine
PubChem CID107960917
Molecular FormulaC10H11Br2NS
Molecular Weight337.08 g/mol
Exact Mass334.90
IUPAC Namecyclopenten-1-yl-(2,5-dibromothiophen-3-yl)methanamine
SMILESNC(C1=CCCC1)c1cc(Br)sc1Br
InChIInChI=1S/C10H11Br2NS/c11-8-5-7(10(12)14-8)9(13)6-3-1-2-4-6/h3,5,9H,1-2,4,13H2
InChIKeyDHTLLHAVWDPPSL-UHFFFAOYSA-N
XLogP4.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.08
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopenten-1-yl-(2,5-dibromothiophen-3-yl)methanamine?
The IUPAC name of cyclopenten-1-yl-(2,5-dibromothiophen-3-yl)methanamine (CID 107960917) is cyclopenten-1-yl-(2,5-dibromothiophen-3-yl)methanamine.
What is the SMILES notation for cyclopenten-1-yl-(2,5-dibromothiophen-3-yl)methanamine?
The canonical SMILES for cyclopenten-1-yl-(2,5-dibromothiophen-3-yl)methanamine is NC(C1=CCCC1)c1cc(Br)sc1Br.
What is the InChIKey of cyclopenten-1-yl-(2,5-dibromothiophen-3-yl)methanamine?
The InChIKey is DHTLLHAVWDPPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Br2NS/c11-8-5-7(10(12)14-8)9(13)6-3-1-2-4-6/h3,5,9H,1-2,4,13H2.
What are the key properties of cyclopenten-1-yl-(2,5-dibromothiophen-3-yl)methanamine?
cyclopenten-1-yl-(2,5-dibromothiophen-3-yl)methanamine has a molecular weight of 337.08 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenten-1-yl-(2,5-dibromothiophen-3-yl)methanamine is sourced from PubChem (CID 107960917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).