1-(5-bromo-4-methylthiophen-2-yl)-N-methyloctan-1-amine

C14H24BrNS — CID 79991435

IUPAC1-(5-bromo-4-methylthiophen-2-yl)-N-methyloctan-1-amine
SMILESCCCCCCCC(NC)c1cc(C)c(Br)s1
InChIInChI=1S/C14H24BrNS/c1-4-5-6-7-8-9-12(16-3)13-10-11(2)14(15)17-13/h10,12,16H,4-9H2,1-3H3
InChIKeyIAVLLVYOTSMETD-UHFFFAOYSA-N
MW318.32 g/mol
LogP5.44
Rot. Bonds8

About 1-(5-bromo-4-methylthiophen-2-yl)-N-methyloctan-1-amine

1-(5-bromo-4-methylthiophen-2-yl)-N-methyloctan-1-amine (PubChem CID 79991435) has the molecular formula C14H24BrNS and a molecular weight of 318.32 g/mol. Its IUPAC name is 1-(5-bromo-4-methylthiophen-2-yl)-N-methyloctan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-4-methylthiophen-2-yl)-N-methyloctan-1-amine
PubChem CID79991435
Molecular FormulaC14H24BrNS
Molecular Weight318.32 g/mol
Exact Mass317.08
IUPAC Name1-(5-bromo-4-methylthiophen-2-yl)-N-methyloctan-1-amine
SMILESCCCCCCCC(NC)c1cc(C)c(Br)s1
InChIInChI=1S/C14H24BrNS/c1-4-5-6-7-8-9-12(16-3)13-10-11(2)14(15)17-13/h10,12,16H,4-9H2,1-3H3
InChIKeyIAVLLVYOTSMETD-UHFFFAOYSA-N
XLogP5.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.32
LogP ≤ 55.44
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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Related Compounds

1-(5-bromo-4-methylthiophen-2-yl)heptylhydrazine
CID 105294058
1-(4,5-dibromothiophen-2-yl)-N-methylundecan-1-amine
CID 115845955
1-(5-bromo-4-methylthiophen-2-yl)-4-ethylsulfonyl-N-methylbutan-1-amine
CID 115865174
1-(5-bromo-4-methylthiophen-2-yl)-N-methylpropan-1-amine
CID 79991964
1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-2-methylsulfonylethanamine
CID 79992082
1-(5-bromothiophen-2-yl)-N-methyldodecan-1-amine
CID 65447449
1-(2,5-dibromothiophen-3-yl)-N-methyloctan-1-amine
CID 43486900
1-(4,5-dibromothiophen-2-yl)decylhydrazine
CID 105293426
1-(5-bromo-4-methylthiophen-2-yl)-N-propylbutan-1-amine
CID 79991988
1-(4,5-dibromothiophen-2-yl)-N-propyloctan-1-amine
CID 80535572
1-(4,5-dibromothiophen-2-yl)-N-propylheptan-1-amine
CID 114752623
1-(4,5-dimethylthiophen-2-yl)nonylhydrazine
CID 105294364

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)-N-methyloctan-1-amine?
The IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)-N-methyloctan-1-amine (CID 79991435) is 1-(5-bromo-4-methylthiophen-2-yl)-N-methyloctan-1-amine.
What is the SMILES notation for 1-(5-bromo-4-methylthiophen-2-yl)-N-methyloctan-1-amine?
The canonical SMILES for 1-(5-bromo-4-methylthiophen-2-yl)-N-methyloctan-1-amine is CCCCCCCC(NC)c1cc(C)c(Br)s1.
What is the InChIKey of 1-(5-bromo-4-methylthiophen-2-yl)-N-methyloctan-1-amine?
The InChIKey is IAVLLVYOTSMETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrNS/c1-4-5-6-7-8-9-12(16-3)13-10-11(2)14(15)17-13/h10,12,16H,4-9H2,1-3H3.
What are the key properties of 1-(5-bromo-4-methylthiophen-2-yl)-N-methyloctan-1-amine?
1-(5-bromo-4-methylthiophen-2-yl)-N-methyloctan-1-amine has a molecular weight of 318.32 g/mol, XLogP of 5.44, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-methylthiophen-2-yl)-N-methyloctan-1-amine is sourced from PubChem (CID 79991435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).