N-[(5-bromothiophen-2-yl)methyl]propan-1-amine

C8H12BrNS — CID 24705836

IUPACN-[(5-bromothiophen-2-yl)methyl]propan-1-amine
SMILESCCCNCc1ccc(Br)s1
InChIInChI=1S/C8H12BrNS/c1-2-5-10-6-7-3-4-8(9)11-7/h3-4,10H,2,5-6H2,1H3
InChIKeyCSKVKIYCLAAXAU-UHFFFAOYSA-N
MW234.16 g/mol
LogP3.01
Rot. Bonds4

About N-[(5-bromothiophen-2-yl)methyl]propan-1-amine

N-[(5-bromothiophen-2-yl)methyl]propan-1-amine (PubChem CID 24705836) has the molecular formula C8H12BrNS and a molecular weight of 234.16 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]propan-1-amine
PubChem CID24705836
Molecular FormulaC8H12BrNS
Molecular Weight234.16 g/mol
Exact Mass232.99
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]propan-1-amine
SMILESCCCNCc1ccc(Br)s1
InChIInChI=1S/C8H12BrNS/c1-2-5-10-6-7-3-4-8(9)11-7/h3-4,10H,2,5-6H2,1H3
InChIKeyCSKVKIYCLAAXAU-UHFFFAOYSA-N
XLogP3.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.16
LogP ≤ 53.01
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-2-yl)-N-[(5-bromothiophen-2-yl)methyl]methanamine
CID 61011766
N-[(5-bromothiophen-2-yl)methyl]-2-propylsulfonylethanamine
CID 106723329
N-[(5-bromothiophen-2-yl)methyl]-N'-tert-butylethane-1,2-diamine
CID 79256811
4-[(5-bromothiophen-2-yl)methylamino]butan-2-one
CID 115235637
N-[(5-bromothiophen-2-yl)methyl]-4-iodobutan-1-amine
CID 106844681
1-[(5-bromothiophen-2-yl)methyl]-3-propylurea
CID 47218768
N-[(5-bromothiophen-2-yl)methyl]-2-propan-2-yloxyethanamine
CID 61484771
N-[[5-(methoxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 107558011
N-[(5-bromothiophen-2-yl)methyl]-2-tert-butylsulfanylethanamine;hydrochloride
CID 115614482
N-[(5-bromothiophen-2-yl)methyl]-2-[2-(2-methoxyethoxy)ethoxy]ethanamine
CID 104561851
N-[(5-bromothiophen-2-yl)methyl]-5-methylsulfanylpentan-1-amine
CID 104923022
N-[(5-bromothiophen-2-yl)methyl]-4-chloropentan-1-amine
CID 106121901

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]propan-1-amine (CID 24705836) is N-[(5-bromothiophen-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]propan-1-amine is CCCNCc1ccc(Br)s1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]propan-1-amine?
The InChIKey is CSKVKIYCLAAXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrNS/c1-2-5-10-6-7-3-4-8(9)11-7/h3-4,10H,2,5-6H2,1H3.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]propan-1-amine?
N-[(5-bromothiophen-2-yl)methyl]propan-1-amine has a molecular weight of 234.16 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 24705836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).