1-(5-bromothiophen-3-yl)-N-methylprop-2-yn-1-amine

C8H8BrNS — CID 105158411

IUPAC1-(5-bromothiophen-3-yl)-N-methylprop-2-yn-1-amine
SMILESC#CC(NC)c1csc(Br)c1
InChIInChI=1S/C8H8BrNS/c1-3-7(10-2)6-4-8(9)11-5-6/h1,4-5,7,10H,2H3
InChIKeyONCBLSHPYTUSCR-UHFFFAOYSA-N
MW230.13 g/mol
LogP2.40
Rot. Bonds2

About 1-(5-bromothiophen-3-yl)-N-methylprop-2-yn-1-amine

1-(5-bromothiophen-3-yl)-N-methylprop-2-yn-1-amine (PubChem CID 105158411) has the molecular formula C8H8BrNS and a molecular weight of 230.13 g/mol. Its IUPAC name is 1-(5-bromothiophen-3-yl)-N-methylprop-2-yn-1-amine.

Molecular Properties

Compound Name1-(5-bromothiophen-3-yl)-N-methylprop-2-yn-1-amine
PubChem CID105158411
Molecular FormulaC8H8BrNS
Molecular Weight230.13 g/mol
Exact Mass228.96
IUPAC Name1-(5-bromothiophen-3-yl)-N-methylprop-2-yn-1-amine
SMILESC#CC(NC)c1csc(Br)c1
InChIInChI=1S/C8H8BrNS/c1-3-7(10-2)6-4-8(9)11-5-6/h1,4-5,7,10H,2H3
InChIKeyONCBLSHPYTUSCR-UHFFFAOYSA-N
XLogP2.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.13
LogP ≤ 52.40
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

1-(5-bromothiophen-3-yl)-N-methylhex-5-yn-1-amine
CID 105179686
1-(5-bromothiophen-3-yl)-1-cyclopropyl-N-methylmethanamine
CID 105157259
1-(3-bromo-4-methylphenyl)-N-methylprop-2-yn-1-amine
CID 104995774
(1S)-N-methyl-1-phenylprop-2-yn-1-amine
CID 142199409
1-(5-bromothiophen-3-yl)-N,3-dimethylbutan-1-amine
CID 105083401
2-(5-bromothiophen-3-yl)-2-(methylamino)acetic acid
CID 130524708
1-(5-bromothiophen-3-yl)-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 105153841
1-(5-bromothiophen-3-yl)-1-(4-chlorophenyl)-N-methylmethanamine
CID 105076520
1-(5-bromothiophen-3-yl)but-3-ynylhydrazine
CID 105281586
(1R)-1-(5-bromothiophen-3-yl)ethanamine
CID 96861697
1-(5-bromothiophen-3-yl)-N-propylbut-3-yn-1-amine
CID 105077694
2-(5-bromothiophen-3-yl)-2-(cyclopropylamino)acetonitrile
CID 130524693

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-3-yl)-N-methylprop-2-yn-1-amine?
The IUPAC name of 1-(5-bromothiophen-3-yl)-N-methylprop-2-yn-1-amine (CID 105158411) is 1-(5-bromothiophen-3-yl)-N-methylprop-2-yn-1-amine.
What is the SMILES notation for 1-(5-bromothiophen-3-yl)-N-methylprop-2-yn-1-amine?
The canonical SMILES for 1-(5-bromothiophen-3-yl)-N-methylprop-2-yn-1-amine is C#CC(NC)c1csc(Br)c1.
What is the InChIKey of 1-(5-bromothiophen-3-yl)-N-methylprop-2-yn-1-amine?
The InChIKey is ONCBLSHPYTUSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNS/c1-3-7(10-2)6-4-8(9)11-5-6/h1,4-5,7,10H,2H3.
What are the key properties of 1-(5-bromothiophen-3-yl)-N-methylprop-2-yn-1-amine?
1-(5-bromothiophen-3-yl)-N-methylprop-2-yn-1-amine has a molecular weight of 230.13 g/mol, XLogP of 2.40, 2 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-methylprop-2-yn-1-amine is sourced from PubChem (CID 105158411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).