5-(3-bromo-5-methylthiophen-2-yl)-N-methylpentan-1-amine

C11H18BrNS — CID 65305729

IUPAC5-(3-bromo-5-methylthiophen-2-yl)-N-methylpentan-1-amine
SMILESCNCCCCCc1sc(C)cc1Br
InChIInChI=1S/C11H18BrNS/c1-9-8-10(12)11(14-9)6-4-3-5-7-13-2/h8,13H,3-7H2,1-2H3
InChIKeyYCCBJIQEXRWZPN-UHFFFAOYSA-N
MW276.24 g/mol
LogP3.75
Rot. Bonds6

About 5-(3-bromo-5-methylthiophen-2-yl)-N-methylpentan-1-amine

5-(3-bromo-5-methylthiophen-2-yl)-N-methylpentan-1-amine (PubChem CID 65305729) has the molecular formula C11H18BrNS and a molecular weight of 276.24 g/mol. Its IUPAC name is 5-(3-bromo-5-methylthiophen-2-yl)-N-methylpentan-1-amine.

Molecular Properties

Compound Name5-(3-bromo-5-methylthiophen-2-yl)-N-methylpentan-1-amine
PubChem CID65305729
Molecular FormulaC11H18BrNS
Molecular Weight276.24 g/mol
Exact Mass275.03
IUPAC Name5-(3-bromo-5-methylthiophen-2-yl)-N-methylpentan-1-amine
SMILESCNCCCCCc1sc(C)cc1Br
InChIInChI=1S/C11H18BrNS/c1-9-8-10(12)11(14-9)6-4-3-5-7-13-2/h8,13H,3-7H2,1-2H3
InChIKeyYCCBJIQEXRWZPN-UHFFFAOYSA-N
XLogP3.75
TPSA12.03 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 ≤ 53.75
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-(3-bromo-5-methylthiophen-2-yl)-N-methylpentan-1-amine?
The IUPAC name of 5-(3-bromo-5-methylthiophen-2-yl)-N-methylpentan-1-amine (CID 65305729) is 5-(3-bromo-5-methylthiophen-2-yl)-N-methylpentan-1-amine.
What is the SMILES notation for 5-(3-bromo-5-methylthiophen-2-yl)-N-methylpentan-1-amine?
The canonical SMILES for 5-(3-bromo-5-methylthiophen-2-yl)-N-methylpentan-1-amine is CNCCCCCc1sc(C)cc1Br.
What is the InChIKey of 5-(3-bromo-5-methylthiophen-2-yl)-N-methylpentan-1-amine?
The InChIKey is YCCBJIQEXRWZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrNS/c1-9-8-10(12)11(14-9)6-4-3-5-7-13-2/h8,13H,3-7H2,1-2H3.
What are the key properties of 5-(3-bromo-5-methylthiophen-2-yl)-N-methylpentan-1-amine?
5-(3-bromo-5-methylthiophen-2-yl)-N-methylpentan-1-amine has a molecular weight of 276.24 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-5-methylthiophen-2-yl)-N-methylpentan-1-amine is sourced from PubChem (CID 65305729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).