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

C17H30BrNS — CID 105124423

IUPAC1-(5-bromothiophen-3-yl)-N-propyldecan-1-amine
SMILESCCCCCCCCCC(NCCC)c1csc(Br)c1
InChIInChI=1S/C17H30BrNS/c1-3-5-6-7-8-9-10-11-16(19-12-4-2)15-13-17(18)20-14-15/h13-14,16,19H,3-12H2,1-2H3
InChIKeyKILYTTAEJFJHAD-UHFFFAOYSA-N
MW360.41 g/mol
LogP6.69
Rot. Bonds12

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

1-(5-bromothiophen-3-yl)-N-propyldecan-1-amine (PubChem CID 105124423) has the molecular formula C17H30BrNS and a molecular weight of 360.41 g/mol. Its IUPAC name is 1-(5-bromothiophen-3-yl)-N-propyldecan-1-amine.

Molecular Properties

Compound Name1-(5-bromothiophen-3-yl)-N-propyldecan-1-amine
PubChem CID105124423
Molecular FormulaC17H30BrNS
Molecular Weight360.41 g/mol
Exact Mass359.13
IUPAC Name1-(5-bromothiophen-3-yl)-N-propyldecan-1-amine
SMILESCCCCCCCCCC(NCCC)c1csc(Br)c1
InChIInChI=1S/C17H30BrNS/c1-3-5-6-7-8-9-10-11-16(19-12-4-2)15-13-17(18)20-14-15/h13-14,16,19H,3-12H2,1-2H3
InChIKeyKILYTTAEJFJHAD-UHFFFAOYSA-N
XLogP6.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.41
LogP ≤ 56.69
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-ethylhexan-1-amine
CID 105129603
1-(5-iodothiophen-3-yl)-N-propylhexan-1-amine
CID 115837319
1-(5-bromothiophen-3-yl)-3-phenyl-N-propylpropan-1-amine
CID 105094339
1-(5-bromothiophen-3-yl)-N-propylpent-3-yn-1-amine
CID 105112636
1-(5-bromothiophen-3-yl)-N-propylbut-3-yn-1-amine
CID 105077694
1-(5-bromothiophen-3-yl)nonan-1-amine
CID 105128036
N-[1-(5-bromothiophen-3-yl)-2-propoxyethyl]propan-1-amine
CID 105165472
1-(3-bromophenyl)-N-propyldecan-1-amine
CID 63413098
1-(3,5-dimethylphenyl)-N-propyloctan-1-amine
CID 115796817
N-propyl-1-thiophen-3-yloctan-1-amine
CID 63412772
1-(5-bromothiophen-3-yl)-N-ethyl-4-ethylsulfonylbutan-1-amine
CID 105152557
1-(4,5-dibromothiophen-2-yl)-N-propyloctan-1-amine
CID 80535572

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-3-yl)-N-propyldecan-1-amine?
The IUPAC name of 1-(5-bromothiophen-3-yl)-N-propyldecan-1-amine (CID 105124423) is 1-(5-bromothiophen-3-yl)-N-propyldecan-1-amine.
What is the SMILES notation for 1-(5-bromothiophen-3-yl)-N-propyldecan-1-amine?
The canonical SMILES for 1-(5-bromothiophen-3-yl)-N-propyldecan-1-amine is CCCCCCCCCC(NCCC)c1csc(Br)c1.
What is the InChIKey of 1-(5-bromothiophen-3-yl)-N-propyldecan-1-amine?
The InChIKey is KILYTTAEJFJHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30BrNS/c1-3-5-6-7-8-9-10-11-16(19-12-4-2)15-13-17(18)20-14-15/h13-14,16,19H,3-12H2,1-2H3.
What are the key properties of 1-(5-bromothiophen-3-yl)-N-propyldecan-1-amine?
1-(5-bromothiophen-3-yl)-N-propyldecan-1-amine has a molecular weight of 360.41 g/mol, XLogP of 6.69, 12 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-propyldecan-1-amine is sourced from PubChem (CID 105124423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).