1-(5-bromothiophen-3-yl)-N-ethylhexan-1-amine

C12H20BrNS — CID 105129603

IUPAC1-(5-bromothiophen-3-yl)-N-ethylhexan-1-amine
SMILESCCCCCC(NCC)c1csc(Br)c1
InChIInChI=1S/C12H20BrNS/c1-3-5-6-7-11(14-4-2)10-8-12(13)15-9-10/h8-9,11,14H,3-7H2,1-2H3
InChIKeyQTQAXLKMZYVKKP-UHFFFAOYSA-N
MW290.27 g/mol
LogP4.74
Rot. Bonds7

About 1-(5-bromothiophen-3-yl)-N-ethylhexan-1-amine

1-(5-bromothiophen-3-yl)-N-ethylhexan-1-amine (PubChem CID 105129603) has the molecular formula C12H20BrNS and a molecular weight of 290.27 g/mol. Its IUPAC name is 1-(5-bromothiophen-3-yl)-N-ethylhexan-1-amine.

Molecular Properties

Compound Name1-(5-bromothiophen-3-yl)-N-ethylhexan-1-amine
PubChem CID105129603
Molecular FormulaC12H20BrNS
Molecular Weight290.27 g/mol
Exact Mass289.05
IUPAC Name1-(5-bromothiophen-3-yl)-N-ethylhexan-1-amine
SMILESCCCCCC(NCC)c1csc(Br)c1
InChIInChI=1S/C12H20BrNS/c1-3-5-6-7-11(14-4-2)10-8-12(13)15-9-10/h8-9,11,14H,3-7H2,1-2H3
InChIKeyQTQAXLKMZYVKKP-UHFFFAOYSA-N
XLogP4.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 54.74
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-bromothiophen-3-yl)-N-propyldecan-1-amine
CID 105124423
1-(5-bromothiophen-3-yl)-N-ethyl-4-ethylsulfonylbutan-1-amine
CID 105152557
1-(5-bromothiophen-3-yl)nonan-1-amine
CID 105128036
1-(5-bromothiophen-3-yl)-2-ethoxy-N-ethylethanamine
CID 105165058
1-(5-bromothiophen-3-yl)-N-ethyl-2-methylpentan-1-amine
CID 107893798
1-(5-bromothiophen-3-yl)-N-ethyl-2-(2,4,6-trimethylphenyl)ethanamine
CID 105120871
1-(5-iodothiophen-3-yl)-N-propylhexan-1-amine
CID 115837319
2-(4-bromophenyl)-1-(5-bromothiophen-3-yl)-N-ethylethanamine
CID 105089055
1-(3-bromo-5-fluorophenyl)-N-ethylnonan-1-amine
CID 66424848
1-(2,6-dimethyl-4-pyridinyl)-N-ethylhexan-1-amine
CID 107503711
1-(3-bromo-4-chlorophenyl)-N-ethyloctan-1-amine
CID 115567420
1-(3-bromo-4-fluorophenyl)-N-ethylheptan-1-amine
CID 82810387

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-3-yl)-N-ethylhexan-1-amine?
The IUPAC name of 1-(5-bromothiophen-3-yl)-N-ethylhexan-1-amine (CID 105129603) is 1-(5-bromothiophen-3-yl)-N-ethylhexan-1-amine.
What is the SMILES notation for 1-(5-bromothiophen-3-yl)-N-ethylhexan-1-amine?
The canonical SMILES for 1-(5-bromothiophen-3-yl)-N-ethylhexan-1-amine is CCCCCC(NCC)c1csc(Br)c1.
What is the InChIKey of 1-(5-bromothiophen-3-yl)-N-ethylhexan-1-amine?
The InChIKey is QTQAXLKMZYVKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrNS/c1-3-5-6-7-11(14-4-2)10-8-12(13)15-9-10/h8-9,11,14H,3-7H2,1-2H3.
What are the key properties of 1-(5-bromothiophen-3-yl)-N-ethylhexan-1-amine?
1-(5-bromothiophen-3-yl)-N-ethylhexan-1-amine has a molecular weight of 290.27 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-3-yl)-N-ethylhexan-1-amine is sourced from PubChem (CID 105129603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).