5-bromo-N-[(4-bromothiophen-2-yl)methyl]pentan-1-amine

C10H15Br2NS — CID 107320315

IUPAC5-bromo-N-[(4-bromothiophen-2-yl)methyl]pentan-1-amine
SMILESBrCCCCCNCc1cc(Br)cs1
InChIInChI=1S/C10H15Br2NS/c11-4-2-1-3-5-13-7-10-6-9(12)8-14-10/h6,8,13H,1-5,7H2
InChIKeyPRYNEDTYXHJNOC-UHFFFAOYSA-N
MW341.11 g/mol
LogP4.17
Rot. Bonds7

About 5-bromo-N-[(4-bromothiophen-2-yl)methyl]pentan-1-amine

5-bromo-N-[(4-bromothiophen-2-yl)methyl]pentan-1-amine (PubChem CID 107320315) has the molecular formula C10H15Br2NS and a molecular weight of 341.11 g/mol. Its IUPAC name is 5-bromo-N-[(4-bromothiophen-2-yl)methyl]pentan-1-amine.

Molecular Properties

Compound Name5-bromo-N-[(4-bromothiophen-2-yl)methyl]pentan-1-amine
PubChem CID107320315
Molecular FormulaC10H15Br2NS
Molecular Weight341.11 g/mol
Exact Mass338.93
IUPAC Name5-bromo-N-[(4-bromothiophen-2-yl)methyl]pentan-1-amine
SMILESBrCCCCCNCc1cc(Br)cs1
InChIInChI=1S/C10H15Br2NS/c11-4-2-1-3-5-13-7-10-6-9(12)8-14-10/h6,8,13H,1-5,7H2
InChIKeyPRYNEDTYXHJNOC-UHFFFAOYSA-N
XLogP4.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.11
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-bromothiophen-2-yl)methyl]-3-propoxypropan-1-amine
CID 82941408
N-[(4-bromothiophen-2-yl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 115581259
N-[(4-bromothiophen-2-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine
CID 28834395
N-[(4-bromothiophen-2-yl)methyl]-4-imidazol-1-ylbutan-1-amine
CID 61067220
N-[(4-bromothiophen-2-yl)methyl]-3-pyrazol-1-ylpropan-1-amine
CID 115580177
N-[(4-bromothiophen-2-yl)methyl]-2-tert-butylsulfanylethanamine
CID 62578173
N-[(4-bromothiophen-2-yl)methyl]-2-(3,3,3-trifluoropropoxy)ethanamine
CID 82958028
2-(5-bromofuran-2-yl)-N-[(4-bromothiophen-2-yl)methyl]ethanamine
CID 115732892
1-[4-[(4-bromothiophen-2-yl)methylamino]butyl]piperidine-4-carboxamide
CID 38065003
N-[(4-bromothiophen-2-yl)methyl]-N',N'-bis(2-ethoxyethyl)ethane-1,2-diamine
CID 82944029
3-[(4-bromothiophen-2-yl)methylamino]-N,N-dimethylpropanamide
CID 60926272
N-[(4-bromothiophen-2-yl)methyl]-2-(2-methylpropylsulfanyl)ethanamine
CID 62576331

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(4-bromothiophen-2-yl)methyl]pentan-1-amine?
The IUPAC name of 5-bromo-N-[(4-bromothiophen-2-yl)methyl]pentan-1-amine (CID 107320315) is 5-bromo-N-[(4-bromothiophen-2-yl)methyl]pentan-1-amine.
What is the SMILES notation for 5-bromo-N-[(4-bromothiophen-2-yl)methyl]pentan-1-amine?
The canonical SMILES for 5-bromo-N-[(4-bromothiophen-2-yl)methyl]pentan-1-amine is BrCCCCCNCc1cc(Br)cs1.
What is the InChIKey of 5-bromo-N-[(4-bromothiophen-2-yl)methyl]pentan-1-amine?
The InChIKey is PRYNEDTYXHJNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15Br2NS/c11-4-2-1-3-5-13-7-10-6-9(12)8-14-10/h6,8,13H,1-5,7H2.
What are the key properties of 5-bromo-N-[(4-bromothiophen-2-yl)methyl]pentan-1-amine?
5-bromo-N-[(4-bromothiophen-2-yl)methyl]pentan-1-amine has a molecular weight of 341.11 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(4-bromothiophen-2-yl)methyl]pentan-1-amine is sourced from PubChem (CID 107320315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).