6-(5-bromo-4-methylthiophen-2-yl)hexan-1-amine

C11H18BrNS — CID 79990966

IUPAC6-(5-bromo-4-methylthiophen-2-yl)hexan-1-amine
SMILESCc1cc(CCCCCCN)sc1Br
InChIInChI=1S/C11H18BrNS/c1-9-8-10(14-11(9)12)6-4-2-3-5-7-13/h8H,2-7,13H2,1H3
InChIKeyILLPKHRYKABVIN-UHFFFAOYSA-N
MW276.24 g/mol
LogP3.88
Rot. Bonds6

About 6-(5-bromo-4-methylthiophen-2-yl)hexan-1-amine

6-(5-bromo-4-methylthiophen-2-yl)hexan-1-amine (PubChem CID 79990966) has the molecular formula C11H18BrNS and a molecular weight of 276.24 g/mol. Its IUPAC name is 6-(5-bromo-4-methylthiophen-2-yl)hexan-1-amine.

Molecular Properties

Compound Name6-(5-bromo-4-methylthiophen-2-yl)hexan-1-amine
PubChem CID79990966
Molecular FormulaC11H18BrNS
Molecular Weight276.24 g/mol
Exact Mass275.03
IUPAC Name6-(5-bromo-4-methylthiophen-2-yl)hexan-1-amine
SMILESCc1cc(CCCCCCN)sc1Br
InChIInChI=1S/C11H18BrNS/c1-9-8-10(14-11(9)12)6-4-2-3-5-7-13/h8H,2-7,13H2,1H3
InChIKeyILLPKHRYKABVIN-UHFFFAOYSA-N
XLogP3.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.24
LogP ≤ 53.88
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 6-(5-bromo-4-methylthiophen-2-yl)hexan-1-amine?
The IUPAC name of 6-(5-bromo-4-methylthiophen-2-yl)hexan-1-amine (CID 79990966) is 6-(5-bromo-4-methylthiophen-2-yl)hexan-1-amine.
What is the SMILES notation for 6-(5-bromo-4-methylthiophen-2-yl)hexan-1-amine?
The canonical SMILES for 6-(5-bromo-4-methylthiophen-2-yl)hexan-1-amine is Cc1cc(CCCCCCN)sc1Br.
What is the InChIKey of 6-(5-bromo-4-methylthiophen-2-yl)hexan-1-amine?
The InChIKey is ILLPKHRYKABVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrNS/c1-9-8-10(14-11(9)12)6-4-2-3-5-7-13/h8H,2-7,13H2,1H3.
What are the key properties of 6-(5-bromo-4-methylthiophen-2-yl)hexan-1-amine?
6-(5-bromo-4-methylthiophen-2-yl)hexan-1-amine has a molecular weight of 276.24 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromo-4-methylthiophen-2-yl)hexan-1-amine is sourced from PubChem (CID 79990966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).