5-(4,5-dibromothiophen-2-yl)-N-methylpentan-1-amine

C10H15Br2NS — CID 80534928

IUPAC5-(4,5-dibromothiophen-2-yl)-N-methylpentan-1-amine
SMILESCNCCCCCc1cc(Br)c(Br)s1
InChIInChI=1S/C10H15Br2NS/c1-13-6-4-2-3-5-8-7-9(11)10(12)14-8/h7,13H,2-6H2,1H3
InChIKeyPBTHVTREGIBQOY-UHFFFAOYSA-N
MW341.11 g/mol
LogP4.21
Rot. Bonds6

About 5-(4,5-dibromothiophen-2-yl)-N-methylpentan-1-amine

5-(4,5-dibromothiophen-2-yl)-N-methylpentan-1-amine (PubChem CID 80534928) has the molecular formula C10H15Br2NS and a molecular weight of 341.11 g/mol. Its IUPAC name is 5-(4,5-dibromothiophen-2-yl)-N-methylpentan-1-amine.

Molecular Properties

Compound Name5-(4,5-dibromothiophen-2-yl)-N-methylpentan-1-amine
PubChem CID80534928
Molecular FormulaC10H15Br2NS
Molecular Weight341.11 g/mol
Exact Mass338.93
IUPAC Name5-(4,5-dibromothiophen-2-yl)-N-methylpentan-1-amine
SMILESCNCCCCCc1cc(Br)c(Br)s1
InChIInChI=1S/C10H15Br2NS/c1-13-6-4-2-3-5-8-7-9(11)10(12)14-8/h7,13H,2-6H2,1H3
InChIKeyPBTHVTREGIBQOY-UHFFFAOYSA-N
XLogP4.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.11
LogP ≤ 54.21
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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Frequently Asked Questions

What is the IUPAC name of 5-(4,5-dibromothiophen-2-yl)-N-methylpentan-1-amine?
The IUPAC name of 5-(4,5-dibromothiophen-2-yl)-N-methylpentan-1-amine (CID 80534928) is 5-(4,5-dibromothiophen-2-yl)-N-methylpentan-1-amine.
What is the SMILES notation for 5-(4,5-dibromothiophen-2-yl)-N-methylpentan-1-amine?
The canonical SMILES for 5-(4,5-dibromothiophen-2-yl)-N-methylpentan-1-amine is CNCCCCCc1cc(Br)c(Br)s1.
What is the InChIKey of 5-(4,5-dibromothiophen-2-yl)-N-methylpentan-1-amine?
The InChIKey is PBTHVTREGIBQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15Br2NS/c1-13-6-4-2-3-5-8-7-9(11)10(12)14-8/h7,13H,2-6H2,1H3.
What are the key properties of 5-(4,5-dibromothiophen-2-yl)-N-methylpentan-1-amine?
5-(4,5-dibromothiophen-2-yl)-N-methylpentan-1-amine has a molecular weight of 341.11 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,5-dibromothiophen-2-yl)-N-methylpentan-1-amine is sourced from PubChem (CID 80534928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).