1-(4,5-dibromothiophen-2-yl)hex-4-yn-1-amine

C10H11Br2NS — CID 105037154

IUPAC1-(4,5-dibromothiophen-2-yl)hex-4-yn-1-amine
SMILESCC#CCCC(N)c1cc(Br)c(Br)s1
InChIInChI=1S/C10H11Br2NS/c1-2-3-4-5-8(13)9-6-7(11)10(12)14-9/h6,8H,4-5,13H2,1H3
InChIKeyFTUNSHRMCOFVNV-UHFFFAOYSA-N
MW337.08 g/mol
LogP4.08
Rot. Bonds3

About 1-(4,5-dibromothiophen-2-yl)hex-4-yn-1-amine

1-(4,5-dibromothiophen-2-yl)hex-4-yn-1-amine (PubChem CID 105037154) has the molecular formula C10H11Br2NS and a molecular weight of 337.08 g/mol. Its IUPAC name is 1-(4,5-dibromothiophen-2-yl)hex-4-yn-1-amine.

Molecular Properties

Compound Name1-(4,5-dibromothiophen-2-yl)hex-4-yn-1-amine
PubChem CID105037154
Molecular FormulaC10H11Br2NS
Molecular Weight337.08 g/mol
Exact Mass334.90
IUPAC Name1-(4,5-dibromothiophen-2-yl)hex-4-yn-1-amine
SMILESCC#CCCC(N)c1cc(Br)c(Br)s1
InChIInChI=1S/C10H11Br2NS/c1-2-3-4-5-8(13)9-6-7(11)10(12)14-9/h6,8H,4-5,13H2,1H3
InChIKeyFTUNSHRMCOFVNV-UHFFFAOYSA-N
XLogP4.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.08
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-(4,5-dibromothiophen-2-yl)-4-methylpentan-1-amine
CID 171215563
(1S)-1-(4,5-dibromothiophen-2-yl)pentan-1-amine
CID 171235173
(1S)-1-(4,5-dibromothiophen-2-yl)propan-1-amine
CID 82758330
(4R)-4-amino-4-(4,5-dibromothiophen-2-yl)butan-1-ol;hydrochloride
CID 171215570
(1S)-1-(4,5-dibromothiophen-2-yl)-2-methylsulfonylethanamine
CID 130055149
(1S)-1-(4,5-dibromothiophen-2-yl)-3-methylbutan-1-amine
CID 131013810
(1R)-1-(4,5-dibromothiophen-2-yl)pent-4-en-1-amine
CID 171215559
N-but-2-ynyl-1-(4,5-dibromothiophen-2-yl)ethane-1,2-diamine
CID 102839925
2-amino-2-(4,5-dibromothiophen-2-yl)ethanol
CID 103846013
(1S)-1-(4,5-dibromothiophen-2-yl)pent-4-en-1-amine;hydrochloride
CID 171235193
6-amino-6-(4,5-dibromothiophen-2-yl)hexanoic acid
CID 80535411
1-(4,5-dibromothiophen-2-yl)-2-(2,5-dimethylphenyl)ethanamine
CID 80533040

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dibromothiophen-2-yl)hex-4-yn-1-amine?
The IUPAC name of 1-(4,5-dibromothiophen-2-yl)hex-4-yn-1-amine (CID 105037154) is 1-(4,5-dibromothiophen-2-yl)hex-4-yn-1-amine.
What is the SMILES notation for 1-(4,5-dibromothiophen-2-yl)hex-4-yn-1-amine?
The canonical SMILES for 1-(4,5-dibromothiophen-2-yl)hex-4-yn-1-amine is CC#CCCC(N)c1cc(Br)c(Br)s1.
What is the InChIKey of 1-(4,5-dibromothiophen-2-yl)hex-4-yn-1-amine?
The InChIKey is FTUNSHRMCOFVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Br2NS/c1-2-3-4-5-8(13)9-6-7(11)10(12)14-9/h6,8H,4-5,13H2,1H3.
What are the key properties of 1-(4,5-dibromothiophen-2-yl)hex-4-yn-1-amine?
1-(4,5-dibromothiophen-2-yl)hex-4-yn-1-amine has a molecular weight of 337.08 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dibromothiophen-2-yl)hex-4-yn-1-amine is sourced from PubChem (CID 105037154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).