N'-[2-(5-bromothiophen-2-yl)ethyl]propane-1,3-diamine

C9H15BrN2S — CID 106042832

IUPACN'-[2-(5-bromothiophen-2-yl)ethyl]propane-1,3-diamine
SMILESNCCCNCCc1ccc(Br)s1
InChIInChI=1S/C9H15BrN2S/c10-9-3-2-8(13-9)4-7-12-6-1-5-11/h2-3,12H,1,4-7,11H2
InChIKeyUEOONLJPVJYLHO-UHFFFAOYSA-N
MW263.20 g/mol
LogP1.99
Rot. Bonds6

About N'-[2-(5-bromothiophen-2-yl)ethyl]propane-1,3-diamine

N'-[2-(5-bromothiophen-2-yl)ethyl]propane-1,3-diamine (PubChem CID 106042832) has the molecular formula C9H15BrN2S and a molecular weight of 263.20 g/mol. Its IUPAC name is N'-[2-(5-bromothiophen-2-yl)ethyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-(5-bromothiophen-2-yl)ethyl]propane-1,3-diamine
PubChem CID106042832
Molecular FormulaC9H15BrN2S
Molecular Weight263.20 g/mol
Exact Mass262.01
IUPAC NameN'-[2-(5-bromothiophen-2-yl)ethyl]propane-1,3-diamine
SMILESNCCCNCCc1ccc(Br)s1
InChIInChI=1S/C9H15BrN2S/c10-9-3-2-8(13-9)4-7-12-6-1-5-11/h2-3,12H,1,4-7,11H2
InChIKeyUEOONLJPVJYLHO-UHFFFAOYSA-N
XLogP1.99
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.20
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-[2-(5-bromothiophen-2-yl)ethyl]propane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(5-bromothiophen-2-yl)ethyl]but-3-en-1-amine
CID 106046795
N-[2-(5-bromothiophen-2-yl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 114140447
2-(5-bromothiophen-2-yl)-N-[(4-chlorophenyl)methyl]ethanamine
CID 113227156
2-(5-bromothiophen-2-yl)-N-(pyridin-4-ylmethyl)ethanamine;hydrochloride
CID 115593241
2-(5-bromothiophen-2-yl)-N-iodoethanamine
CID 134427981
6-[2-(5-bromothiophen-2-yl)ethylamino]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106034246
N-[2-(5-bromothiophen-2-yl)ethyl]formamide
CID 106043586
(2R)-1-[2-(5-bromothiophen-2-yl)ethylamino]propan-2-ol
CID 96666636
N-[[3-(aminomethyl)phenyl]methyl]-2-(5-bromothiophen-2-yl)ethanamine
CID 115213054
4-(5-bromothiophen-2-yl)-N-(2-methoxyethyl)butan-1-amine
CID 64502836
2-(5-bromothiophen-2-yl)-N-(2-propoxyethyl)ethanamine
CID 106047173
N-[2-(4-bromophenoxy)ethyl]-2-(5-bromothiophen-2-yl)ethanamine
CID 106047006

Frequently Asked Questions

What is the IUPAC name of N'-[2-(5-bromothiophen-2-yl)ethyl]propane-1,3-diamine?
The IUPAC name of N'-[2-(5-bromothiophen-2-yl)ethyl]propane-1,3-diamine (CID 106042832) is N'-[2-(5-bromothiophen-2-yl)ethyl]propane-1,3-diamine.
What is the SMILES notation for N'-[2-(5-bromothiophen-2-yl)ethyl]propane-1,3-diamine?
The canonical SMILES for N'-[2-(5-bromothiophen-2-yl)ethyl]propane-1,3-diamine is NCCCNCCc1ccc(Br)s1.
What is the InChIKey of N'-[2-(5-bromothiophen-2-yl)ethyl]propane-1,3-diamine?
The InChIKey is UEOONLJPVJYLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN2S/c10-9-3-2-8(13-9)4-7-12-6-1-5-11/h2-3,12H,1,4-7,11H2.
What are the key properties of N'-[2-(5-bromothiophen-2-yl)ethyl]propane-1,3-diamine?
N'-[2-(5-bromothiophen-2-yl)ethyl]propane-1,3-diamine has a molecular weight of 263.20 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(5-bromothiophen-2-yl)ethyl]propane-1,3-diamine is sourced from PubChem (CID 106042832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).