6-(2,5-dibromothiophen-3-yl)-N-(2-methoxyethyl)hexan-1-amine

C13H21Br2NOS — CID 65306343

IUPAC6-(2,5-dibromothiophen-3-yl)-N-(2-methoxyethyl)hexan-1-amine
SMILESCOCCNCCCCCCc1cc(Br)sc1Br
InChIInChI=1S/C13H21Br2NOS/c1-17-9-8-16-7-5-3-2-4-6-11-10-12(14)18-13(11)15/h10,16H,2-9H2,1H3
InChIKeyUXKWHRYVJOAVTF-UHFFFAOYSA-N
MW399.19 g/mol
LogP4.61
Rot. Bonds10

About 6-(2,5-dibromothiophen-3-yl)-N-(2-methoxyethyl)hexan-1-amine

6-(2,5-dibromothiophen-3-yl)-N-(2-methoxyethyl)hexan-1-amine (PubChem CID 65306343) has the molecular formula C13H21Br2NOS and a molecular weight of 399.19 g/mol. Its IUPAC name is 6-(2,5-dibromothiophen-3-yl)-N-(2-methoxyethyl)hexan-1-amine.

Molecular Properties

Compound Name6-(2,5-dibromothiophen-3-yl)-N-(2-methoxyethyl)hexan-1-amine
PubChem CID65306343
Molecular FormulaC13H21Br2NOS
Molecular Weight399.19 g/mol
Exact Mass396.97
IUPAC Name6-(2,5-dibromothiophen-3-yl)-N-(2-methoxyethyl)hexan-1-amine
SMILESCOCCNCCCCCCc1cc(Br)sc1Br
InChIInChI=1S/C13H21Br2NOS/c1-17-9-8-16-7-5-3-2-4-6-11-10-12(14)18-13(11)15/h10,16H,2-9H2,1H3
InChIKeyUXKWHRYVJOAVTF-UHFFFAOYSA-N
XLogP4.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.19
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 6-(2,5-dibromothiophen-3-yl)-N-(2-methoxyethyl)hexan-1-amine?
The IUPAC name of 6-(2,5-dibromothiophen-3-yl)-N-(2-methoxyethyl)hexan-1-amine (CID 65306343) is 6-(2,5-dibromothiophen-3-yl)-N-(2-methoxyethyl)hexan-1-amine.
What is the SMILES notation for 6-(2,5-dibromothiophen-3-yl)-N-(2-methoxyethyl)hexan-1-amine?
The canonical SMILES for 6-(2,5-dibromothiophen-3-yl)-N-(2-methoxyethyl)hexan-1-amine is COCCNCCCCCCc1cc(Br)sc1Br.
What is the InChIKey of 6-(2,5-dibromothiophen-3-yl)-N-(2-methoxyethyl)hexan-1-amine?
The InChIKey is UXKWHRYVJOAVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21Br2NOS/c1-17-9-8-16-7-5-3-2-4-6-11-10-12(14)18-13(11)15/h10,16H,2-9H2,1H3.
What are the key properties of 6-(2,5-dibromothiophen-3-yl)-N-(2-methoxyethyl)hexan-1-amine?
6-(2,5-dibromothiophen-3-yl)-N-(2-methoxyethyl)hexan-1-amine has a molecular weight of 399.19 g/mol, XLogP of 4.61, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dibromothiophen-3-yl)-N-(2-methoxyethyl)hexan-1-amine is sourced from PubChem (CID 65306343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).