1-(2,5-dibromothiophen-3-yl)decan-1-amine

C14H23Br2NS — CID 65447630

IUPAC1-(2,5-dibromothiophen-3-yl)decan-1-amine
SMILESCCCCCCCCCC(N)c1cc(Br)sc1Br
InChIInChI=1S/C14H23Br2NS/c1-2-3-4-5-6-7-8-9-12(17)11-10-13(15)18-14(11)16/h10,12H,2-9,17H2,1H3
InChIKeyUUTKZPMEUCVWNJ-UHFFFAOYSA-N
MW397.22 g/mol
LogP6.41
Rot. Bonds9

About 1-(2,5-dibromothiophen-3-yl)decan-1-amine

1-(2,5-dibromothiophen-3-yl)decan-1-amine (PubChem CID 65447630) has the molecular formula C14H23Br2NS and a molecular weight of 397.22 g/mol. Its IUPAC name is 1-(2,5-dibromothiophen-3-yl)decan-1-amine.

Molecular Properties

Compound Name1-(2,5-dibromothiophen-3-yl)decan-1-amine
PubChem CID65447630
Molecular FormulaC14H23Br2NS
Molecular Weight397.22 g/mol
Exact Mass394.99
IUPAC Name1-(2,5-dibromothiophen-3-yl)decan-1-amine
SMILESCCCCCCCCCC(N)c1cc(Br)sc1Br
InChIInChI=1S/C14H23Br2NS/c1-2-3-4-5-6-7-8-9-12(17)11-10-13(15)18-14(11)16/h10,12H,2-9,17H2,1H3
InChIKeyUUTKZPMEUCVWNJ-UHFFFAOYSA-N
XLogP6.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.22
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2,5-dibromothiophen-3-yl)decan-1-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-(1-chlorododecyl)thiophene
CID 65427146
1-(2,5-dibromothiophen-3-yl)-4-ethylsulfonylbutan-1-amine
CID 107968351
1-(2,5-dibromothiophen-3-yl)-N-methyloctan-1-amine
CID 43486900
1-(5-bromo-2-methylthiophen-3-yl)heptan-1-ol
CID 114753433
1-(5-bromothiophen-3-yl)nonan-1-amine
CID 105128036
1-(5-bromo-4-chlorothiophen-2-yl)heptan-1-amine
CID 114752618
1-(2,5-dibromothiophen-3-yl)-3-phenylpropan-1-amine
CID 43167403
1-(2,5-dichlorothiophen-3-yl)octan-1-amine
CID 43167354
3-cyclopentyl-1-(2,5-dibromothiophen-3-yl)propan-1-amine
CID 43167433
1-(2-bromophenyl)hexan-1-amine
CID 62604682
1-(2,5-dibromothiophen-3-yl)-2-(3,5-dimethylphenyl)ethanamine
CID 107967937
1-(2-bromofuran-3-yl)octan-1-amine
CID 106857217

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromothiophen-3-yl)decan-1-amine?
The IUPAC name of 1-(2,5-dibromothiophen-3-yl)decan-1-amine (CID 65447630) is 1-(2,5-dibromothiophen-3-yl)decan-1-amine.
What is the SMILES notation for 1-(2,5-dibromothiophen-3-yl)decan-1-amine?
The canonical SMILES for 1-(2,5-dibromothiophen-3-yl)decan-1-amine is CCCCCCCCCC(N)c1cc(Br)sc1Br.
What is the InChIKey of 1-(2,5-dibromothiophen-3-yl)decan-1-amine?
The InChIKey is UUTKZPMEUCVWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23Br2NS/c1-2-3-4-5-6-7-8-9-12(17)11-10-13(15)18-14(11)16/h10,12H,2-9,17H2,1H3.
What are the key properties of 1-(2,5-dibromothiophen-3-yl)decan-1-amine?
1-(2,5-dibromothiophen-3-yl)decan-1-amine has a molecular weight of 397.22 g/mol, XLogP of 6.41, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromothiophen-3-yl)decan-1-amine is sourced from PubChem (CID 65447630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).