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'}

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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).