N-[2-(5-bromothiophen-2-yl)ethyl]but-3-en-1-amine

C10H14BrNS — CID 106046795

IUPACN-[2-(5-bromothiophen-2-yl)ethyl]but-3-en-1-amine
SMILESC=CCCNCCc1ccc(Br)s1
InChIInChI=1S/C10H14BrNS/c1-2-3-7-12-8-6-9-4-5-10(11)13-9/h2,4-5,12H,1,3,6-8H2
InChIKeyRMAITUUCUVOGKZ-UHFFFAOYSA-N
MW260.20 g/mol
LogP3.22
Rot. Bonds6

About N-[2-(5-bromothiophen-2-yl)ethyl]but-3-en-1-amine

N-[2-(5-bromothiophen-2-yl)ethyl]but-3-en-1-amine (PubChem CID 106046795) has the molecular formula C10H14BrNS and a molecular weight of 260.20 g/mol. Its IUPAC name is N-[2-(5-bromothiophen-2-yl)ethyl]but-3-en-1-amine.

Molecular Properties

Compound NameN-[2-(5-bromothiophen-2-yl)ethyl]but-3-en-1-amine
PubChem CID106046795
Molecular FormulaC10H14BrNS
Molecular Weight260.20 g/mol
Exact Mass259.00
IUPAC NameN-[2-(5-bromothiophen-2-yl)ethyl]but-3-en-1-amine
SMILESC=CCCNCCc1ccc(Br)s1
InChIInChI=1S/C10H14BrNS/c1-2-3-7-12-8-6-9-4-5-10(11)13-9/h2,4-5,12H,1,3,6-8H2
InChIKeyRMAITUUCUVOGKZ-UHFFFAOYSA-N
XLogP3.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.20
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(5-bromothiophen-2-yl)ethyl]propane-1,3-diamine
CID 106042832
N-[2-(5-bromothiophen-2-yl)ethyl]formamide
CID 106043586
2-(5-bromothiophen-2-yl)-N-iodoethanamine
CID 134427981
(2R)-1-[2-(5-bromothiophen-2-yl)ethylamino]propan-2-ol
CID 96666636
2-(5-bromothiophen-2-yl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 106047077
2-(5-bromothiophen-2-yl)-N-(2-propoxyethyl)ethanamine
CID 106047173
N-[2-(4-bromophenoxy)ethyl]-2-(5-bromothiophen-2-yl)ethanamine
CID 106047006
2-(5-bromothiophen-2-yl)-N-[(4-chlorophenyl)methyl]ethanamine
CID 113227156
N-[2-(5-bromothiophen-2-yl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 114140447
N-[2-(5-bromothiophen-2-yl)ethyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 106047111
N-[2-(5-bromothiophen-2-yl)ethyl]-2-methylpentan-1-amine
CID 106043149
2-(5-bromothiophen-2-yl)-N-(pyridin-4-ylmethyl)ethanamine;hydrochloride
CID 115593241

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]but-3-en-1-amine?
The IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]but-3-en-1-amine (CID 106046795) is N-[2-(5-bromothiophen-2-yl)ethyl]but-3-en-1-amine.
What is the SMILES notation for N-[2-(5-bromothiophen-2-yl)ethyl]but-3-en-1-amine?
The canonical SMILES for N-[2-(5-bromothiophen-2-yl)ethyl]but-3-en-1-amine is C=CCCNCCc1ccc(Br)s1.
What is the InChIKey of N-[2-(5-bromothiophen-2-yl)ethyl]but-3-en-1-amine?
The InChIKey is RMAITUUCUVOGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNS/c1-2-3-7-12-8-6-9-4-5-10(11)13-9/h2,4-5,12H,1,3,6-8H2.
What are the key properties of N-[2-(5-bromothiophen-2-yl)ethyl]but-3-en-1-amine?
N-[2-(5-bromothiophen-2-yl)ethyl]but-3-en-1-amine has a molecular weight of 260.20 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromothiophen-2-yl)ethyl]but-3-en-1-amine is sourced from PubChem (CID 106046795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).