N-[1-(5-bromothiophen-2-yl)ethyl]octan-1-amine

C14H24BrNS — CID 115566766

IUPACN-[1-(5-bromothiophen-2-yl)ethyl]octan-1-amine
SMILESCCCCCCCCNC(C)c1ccc(Br)s1
InChIInChI=1S/C14H24BrNS/c1-3-4-5-6-7-8-11-16-12(2)13-9-10-14(15)17-13/h9-10,12,16H,3-8,11H2,1-2H3
InChIKeyVHCPDGPGTAGTSN-UHFFFAOYSA-N
MW318.32 g/mol
LogP5.52
Rot. Bonds9

About N-[1-(5-bromothiophen-2-yl)ethyl]octan-1-amine

N-[1-(5-bromothiophen-2-yl)ethyl]octan-1-amine (PubChem CID 115566766) has the molecular formula C14H24BrNS and a molecular weight of 318.32 g/mol. Its IUPAC name is N-[1-(5-bromothiophen-2-yl)ethyl]octan-1-amine.

Molecular Properties

Compound NameN-[1-(5-bromothiophen-2-yl)ethyl]octan-1-amine
PubChem CID115566766
Molecular FormulaC14H24BrNS
Molecular Weight318.32 g/mol
Exact Mass317.08
IUPAC NameN-[1-(5-bromothiophen-2-yl)ethyl]octan-1-amine
SMILESCCCCCCCCNC(C)c1ccc(Br)s1
InChIInChI=1S/C14H24BrNS/c1-3-4-5-6-7-8-11-16-12(2)13-9-10-14(15)17-13/h9-10,12,16H,3-8,11H2,1-2H3
InChIKeyVHCPDGPGTAGTSN-UHFFFAOYSA-N
XLogP5.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.32
LogP ≤ 55.52
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

N-[1-(5-methylthiophen-2-yl)ethyl]hexan-1-amine
CID 43109777
N-[1-(5-methylthiophen-2-yl)ethyl]nonan-1-amine
CID 63490848
N-[1-(5-methylthiophen-2-yl)ethyl]heptan-1-amine
CID 63455494
N-[1-(5-bromothiophen-2-yl)ethyl]-4,4,4-trifluorobutan-1-amine
CID 81343374
(2R)-4-[[(1R)-1-(5-bromothiophen-2-yl)ethyl]amino]butan-2-ol
CID 96784283
N-[(1R)-1-thiophen-2-ylethyl]heptan-1-amine
CID 81398404
(1R)-1-(5-bromothiophen-2-yl)-N-(2-methoxyethyl)ethanamine
CID 93424951
(2S)-4-[[(1R)-1-(5-bromothiophen-2-yl)ethyl]amino]butan-2-ol
CID 96784282
N-[1-(5-bromothiophen-2-yl)ethyl]-3-cyclopentylpropan-1-amine
CID 106008220
N-[(1R)-1-(4-bromophenyl)ethyl]nonan-1-amine
CID 81359555
2-bromo-5-(1-bromoheptyl)thiophene
CID 114753618
1-(5-bromothiophen-2-yl)-N-methyldodecan-1-amine
CID 65447449

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromothiophen-2-yl)ethyl]octan-1-amine?
The IUPAC name of N-[1-(5-bromothiophen-2-yl)ethyl]octan-1-amine (CID 115566766) is N-[1-(5-bromothiophen-2-yl)ethyl]octan-1-amine.
What is the SMILES notation for N-[1-(5-bromothiophen-2-yl)ethyl]octan-1-amine?
The canonical SMILES for N-[1-(5-bromothiophen-2-yl)ethyl]octan-1-amine is CCCCCCCCNC(C)c1ccc(Br)s1.
What is the InChIKey of N-[1-(5-bromothiophen-2-yl)ethyl]octan-1-amine?
The InChIKey is VHCPDGPGTAGTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrNS/c1-3-4-5-6-7-8-11-16-12(2)13-9-10-14(15)17-13/h9-10,12,16H,3-8,11H2,1-2H3.
What are the key properties of N-[1-(5-bromothiophen-2-yl)ethyl]octan-1-amine?
N-[1-(5-bromothiophen-2-yl)ethyl]octan-1-amine has a molecular weight of 318.32 g/mol, XLogP of 5.52, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromothiophen-2-yl)ethyl]octan-1-amine is sourced from PubChem (CID 115566766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).