2-bromo-5-hexyl-4-methylthiophen-3-amine

C11H18BrNS — CID 114749215

IUPAC2-bromo-5-hexyl-4-methylthiophen-3-amine
SMILESCCCCCCc1sc(Br)c(N)c1C
InChIInChI=1S/C11H18BrNS/c1-3-4-5-6-7-9-8(2)10(13)11(12)14-9/h3-7,13H2,1-2H3
InChIKeyDQCWGJAZJMUARF-UHFFFAOYSA-N
MW276.24 g/mol
LogP4.52
Rot. Bonds5

About 2-bromo-5-hexyl-4-methylthiophen-3-amine

2-bromo-5-hexyl-4-methylthiophen-3-amine (PubChem CID 114749215) has the molecular formula C11H18BrNS and a molecular weight of 276.24 g/mol. Its IUPAC name is 2-bromo-5-hexyl-4-methylthiophen-3-amine.

Molecular Properties

Compound Name2-bromo-5-hexyl-4-methylthiophen-3-amine
PubChem CID114749215
Molecular FormulaC11H18BrNS
Molecular Weight276.24 g/mol
Exact Mass275.03
IUPAC Name2-bromo-5-hexyl-4-methylthiophen-3-amine
SMILESCCCCCCc1sc(Br)c(N)c1C
InChIInChI=1S/C11H18BrNS/c1-3-4-5-6-7-9-8(2)10(13)11(12)14-9/h3-7,13H2,1-2H3
InChIKeyDQCWGJAZJMUARF-UHFFFAOYSA-N
XLogP4.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.24
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-bromo-5-hexyl-4-methylthiophen-3-amine 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

2,5-dibromo-3,4-didecylthiophene
CID 59856343
(2-chloro-4-methyl-5-pentylthiophen-3-yl)methanamine
CID 114748609
2-amino-5-hexyl-N,N,4-trimethylthiophene-3-carboxamide
CID 43174820
ethyl 2-amino-5-hexyl-4-methylthiophene-3-carboxylate
CID 29006756
methyl 2-amino-5-hexyl-4-methylthiophene-3-carboxylate
CID 29006766
1,3-dibromo-5,7-dioctylthieno[3,4-f][2]benzothiole-4,8-dione
CID 132965993
2-amino-N,4-dimethyl-5-pentylthiophene-3-carboxamide
CID 43367155
2-amino-N-ethyl-4-methyl-5-pentylthiophene-3-carboxamide
CID 43367182
2-heptyl-3,4-dimethylthiophene
CID 142681632
2,6-dibromo-3,7-dioctylthieno[2,3-f][1]benzothiole-4,8-dione
CID 101202538
10-octylanthracen-9-amine
CID 87887624
5,7-dibromo-2,3-didecylthieno[3,4-b]pyrazine
CID 21199980

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-hexyl-4-methylthiophen-3-amine?
The IUPAC name of 2-bromo-5-hexyl-4-methylthiophen-3-amine (CID 114749215) is 2-bromo-5-hexyl-4-methylthiophen-3-amine.
What is the SMILES notation for 2-bromo-5-hexyl-4-methylthiophen-3-amine?
The canonical SMILES for 2-bromo-5-hexyl-4-methylthiophen-3-amine is CCCCCCc1sc(Br)c(N)c1C.
What is the InChIKey of 2-bromo-5-hexyl-4-methylthiophen-3-amine?
The InChIKey is DQCWGJAZJMUARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrNS/c1-3-4-5-6-7-9-8(2)10(13)11(12)14-9/h3-7,13H2,1-2H3.
What are the key properties of 2-bromo-5-hexyl-4-methylthiophen-3-amine?
2-bromo-5-hexyl-4-methylthiophen-3-amine has a molecular weight of 276.24 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-hexyl-4-methylthiophen-3-amine is sourced from PubChem (CID 114749215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).