1-(5-bromothiophen-3-yl)-N-methylhex-5-yn-1-amine

C11H14BrNS — CID 105179686

IUPAC1-(5-bromothiophen-3-yl)-N-methylhex-5-yn-1-amine
SMILESC#CCCCC(NC)c1csc(Br)c1
InChIInChI=1S/C11H14BrNS/c1-3-4-5-6-10(13-2)9-7-11(12)14-8-9/h1,7-8,10,13H,4-6H2,2H3
InChIKeyHLSGCPNLXDIFDT-UHFFFAOYSA-N
MW272.21 g/mol
LogP3.57
Rot. Bonds5

About 1-(5-bromothiophen-3-yl)-N-methylhex-5-yn-1-amine

1-(5-bromothiophen-3-yl)-N-methylhex-5-yn-1-amine (PubChem CID 105179686) has the molecular formula C11H14BrNS and a molecular weight of 272.21 g/mol. Its IUPAC name is 1-(5-bromothiophen-3-yl)-N-methylhex-5-yn-1-amine.

Molecular Properties

Compound Name1-(5-bromothiophen-3-yl)-N-methylhex-5-yn-1-amine
PubChem CID105179686
Molecular FormulaC11H14BrNS
Molecular Weight272.21 g/mol
Exact Mass271.00
IUPAC Name1-(5-bromothiophen-3-yl)-N-methylhex-5-yn-1-amine
SMILESC#CCCCC(NC)c1csc(Br)c1
InChIInChI=1S/C11H14BrNS/c1-3-4-5-6-10(13-2)9-7-11(12)14-8-9/h1,7-8,10,13H,4-6H2,2H3
InChIKeyHLSGCPNLXDIFDT-UHFFFAOYSA-N
XLogP3.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.21
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(5-bromothiophen-3-yl)hex-5-yn-1-ol
CID 105124621
1-(5-bromothiophen-3-yl)-N-methyloct-7-en-1-amine
CID 107011509
1-(5-bromothiophen-3-yl)-N,4-dimethylpent-4-en-1-amine
CID 105182683
1-(5-bromothiophen-3-yl)-N,3-dimethylbutan-1-amine
CID 105083401
1-(5-bromothiophen-3-yl)pent-4-yn-1-amine
CID 105149125
1-(3-chloro-5-methylphenyl)-N-methylhex-5-yn-1-amine
CID 105034185
1-(5-iodothiophen-3-yl)hex-5-ynylhydrazine
CID 105333506
1-(3-iodophenyl)-N-methylhex-5-yn-1-amine
CID 105034072
1-(5-bromothiophen-3-yl)-N-methylprop-2-yn-1-amine
CID 105158411
1-(5-bromothiophen-3-yl)but-3-ynylhydrazine
CID 105281586
1-(4-bromo-2-methylphenyl)-N-methylhex-5-yn-1-amine
CID 105033715
N-methyl-1-(2,4,6-trimethylphenyl)hex-5-yn-1-amine
CID 105033708

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-3-yl)-N-methylhex-5-yn-1-amine?
The IUPAC name of 1-(5-bromothiophen-3-yl)-N-methylhex-5-yn-1-amine (CID 105179686) is 1-(5-bromothiophen-3-yl)-N-methylhex-5-yn-1-amine.
What is the SMILES notation for 1-(5-bromothiophen-3-yl)-N-methylhex-5-yn-1-amine?
The canonical SMILES for 1-(5-bromothiophen-3-yl)-N-methylhex-5-yn-1-amine is C#CCCCC(NC)c1csc(Br)c1.
What is the InChIKey of 1-(5-bromothiophen-3-yl)-N-methylhex-5-yn-1-amine?
The InChIKey is HLSGCPNLXDIFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNS/c1-3-4-5-6-10(13-2)9-7-11(12)14-8-9/h1,7-8,10,13H,4-6H2,2H3.
What are the key properties of 1-(5-bromothiophen-3-yl)-N-methylhex-5-yn-1-amine?
1-(5-bromothiophen-3-yl)-N-methylhex-5-yn-1-amine has a molecular weight of 272.21 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-3-yl)-N-methylhex-5-yn-1-amine is sourced from PubChem (CID 105179686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).