5-(4,5-dibromothiophen-2-yl)-3,3-dimethyl-N-(2-methylpropyl)pentan-1-amine

C15H25Br2NS — CID 80535233

IUPAC5-(4,5-dibromothiophen-2-yl)-3,3-dimethyl-N-(2-methylpropyl)pentan-1-amine
SMILESCC(C)CNCCC(C)(C)CCc1cc(Br)c(Br)s1
InChIInChI=1S/C15H25Br2NS/c1-11(2)10-18-8-7-15(3,4)6-5-12-9-13(16)14(17)19-12/h9,11,18H,5-8,10H2,1-4H3
InChIKeyRFGCGWUTVIJJPU-UHFFFAOYSA-N
MW411.25 g/mol
LogP5.87
Rot. Bonds8

About 5-(4,5-dibromothiophen-2-yl)-3,3-dimethyl-N-(2-methylpropyl)pentan-1-amine

5-(4,5-dibromothiophen-2-yl)-3,3-dimethyl-N-(2-methylpropyl)pentan-1-amine (PubChem CID 80535233) has the molecular formula C15H25Br2NS and a molecular weight of 411.25 g/mol. Its IUPAC name is 5-(4,5-dibromothiophen-2-yl)-3,3-dimethyl-N-(2-methylpropyl)pentan-1-amine.

Molecular Properties

Compound Name5-(4,5-dibromothiophen-2-yl)-3,3-dimethyl-N-(2-methylpropyl)pentan-1-amine
PubChem CID80535233
Molecular FormulaC15H25Br2NS
Molecular Weight411.25 g/mol
Exact Mass409.01
IUPAC Name5-(4,5-dibromothiophen-2-yl)-3,3-dimethyl-N-(2-methylpropyl)pentan-1-amine
SMILESCC(C)CNCCC(C)(C)CCc1cc(Br)c(Br)s1
InChIInChI=1S/C15H25Br2NS/c1-11(2)10-18-8-7-15(3,4)6-5-12-9-13(16)14(17)19-12/h9,11,18H,5-8,10H2,1-4H3
InChIKeyRFGCGWUTVIJJPU-UHFFFAOYSA-N
XLogP5.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.25
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(4,5-dibromothiophen-2-yl)-3,3-dimethyl-N-(2-methylpropyl)pentan-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

3-(4,5-dibromothiophen-2-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 80534974
5-(5-bromo-4-methylthiophen-2-yl)-3,3-dimethyl-N-propylpentan-1-amine
CID 79990855
5-(5-bromo-4-chlorothiophen-2-yl)-N-ethyl-3,3-dimethylpentan-1-amine
CID 80532626
5-(4-fluorophenyl)-3,3-dimethyl-N-(2-methylpropyl)pentan-1-amine
CID 65305104
4-(2-bromo-5-fluorophenyl)-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 81035051
3-(4-bromo-5-chlorothiophen-2-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 102838807
3-(5-bromo-2-methylthiophen-3-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 79830232
3-(3-bromofuran-2-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 81034088
4-(5-chlorothiophen-2-yl)-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 81034530
N-[(4,5-dibromothiophen-2-yl)methyl]-2,2-dimethylbutan-1-amine
CID 103460897
3,3-dimethyl-N-(2-methylpropyl)octan-1-amine
CID 81033930
5-(4,5-dibromothiophen-2-yl)-N-methylpentan-1-amine
CID 80534928

Frequently Asked Questions

What is the IUPAC name of 5-(4,5-dibromothiophen-2-yl)-3,3-dimethyl-N-(2-methylpropyl)pentan-1-amine?
The IUPAC name of 5-(4,5-dibromothiophen-2-yl)-3,3-dimethyl-N-(2-methylpropyl)pentan-1-amine (CID 80535233) is 5-(4,5-dibromothiophen-2-yl)-3,3-dimethyl-N-(2-methylpropyl)pentan-1-amine.
What is the SMILES notation for 5-(4,5-dibromothiophen-2-yl)-3,3-dimethyl-N-(2-methylpropyl)pentan-1-amine?
The canonical SMILES for 5-(4,5-dibromothiophen-2-yl)-3,3-dimethyl-N-(2-methylpropyl)pentan-1-amine is CC(C)CNCCC(C)(C)CCc1cc(Br)c(Br)s1.
What is the InChIKey of 5-(4,5-dibromothiophen-2-yl)-3,3-dimethyl-N-(2-methylpropyl)pentan-1-amine?
The InChIKey is RFGCGWUTVIJJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25Br2NS/c1-11(2)10-18-8-7-15(3,4)6-5-12-9-13(16)14(17)19-12/h9,11,18H,5-8,10H2,1-4H3.
What are the key properties of 5-(4,5-dibromothiophen-2-yl)-3,3-dimethyl-N-(2-methylpropyl)pentan-1-amine?
5-(4,5-dibromothiophen-2-yl)-3,3-dimethyl-N-(2-methylpropyl)pentan-1-amine has a molecular weight of 411.25 g/mol, XLogP of 5.87, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,5-dibromothiophen-2-yl)-3,3-dimethyl-N-(2-methylpropyl)pentan-1-amine is sourced from PubChem (CID 80535233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).