1-(5-bromothiophen-3-yl)pent-4-yn-1-amine

C9H10BrNS — CID 105149125

IUPAC1-(5-bromothiophen-3-yl)pent-4-yn-1-amine
SMILESC#CCCC(N)c1csc(Br)c1
InChIInChI=1S/C9H10BrNS/c1-2-3-4-8(11)7-5-9(10)12-6-7/h1,5-6,8H,3-4,11H2
InChIKeyGSUYTOJBWKRHRO-UHFFFAOYSA-N
MW244.16 g/mol
LogP2.92
Rot. Bonds3

About 1-(5-bromothiophen-3-yl)pent-4-yn-1-amine

1-(5-bromothiophen-3-yl)pent-4-yn-1-amine (PubChem CID 105149125) has the molecular formula C9H10BrNS and a molecular weight of 244.16 g/mol. Its IUPAC name is 1-(5-bromothiophen-3-yl)pent-4-yn-1-amine.

Molecular Properties

Compound Name1-(5-bromothiophen-3-yl)pent-4-yn-1-amine
PubChem CID105149125
Molecular FormulaC9H10BrNS
Molecular Weight244.16 g/mol
Exact Mass242.97
IUPAC Name1-(5-bromothiophen-3-yl)pent-4-yn-1-amine
SMILESC#CCCC(N)c1csc(Br)c1
InChIInChI=1S/C9H10BrNS/c1-2-3-4-8(11)7-5-9(10)12-6-7/h1,5-6,8H,3-4,11H2
InChIKeyGSUYTOJBWKRHRO-UHFFFAOYSA-N
XLogP2.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.16
LogP ≤ 52.92
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)hex-5-yn-1-ol
CID 105124621
1-(5-bromothiophen-3-yl)nonan-1-amine
CID 105128036
1-(5-bromothiophen-3-yl)-N-methylhex-5-yn-1-amine
CID 105179686
1-(3,4,5-trifluorophenyl)pent-4-yn-1-amine
CID 63657908
1-(5-bromothiophen-3-yl)but-3-ynylhydrazine
CID 105281586
1-(5-bromothiophen-3-yl)-2-propan-2-yloxyethanamine
CID 105168152
1-(4-bromo-2,6-difluorophenyl)pent-4-yn-1-amine
CID 115859648
2-(4-bromophenyl)-1-(5-bromothiophen-3-yl)ethanamine
CID 105089162
(1R)-1-(5-bromothiophen-3-yl)ethanamine
CID 96861697
1-(2,4-dibromophenyl)pent-4-yn-1-amine
CID 107945868
1-(5-bromothiophen-3-yl)-2-cyclobutylethanamine
CID 105151667
1-(5-bromo-2-chlorophenyl)pent-4-yn-1-amine
CID 115859145

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-3-yl)pent-4-yn-1-amine?
The IUPAC name of 1-(5-bromothiophen-3-yl)pent-4-yn-1-amine (CID 105149125) is 1-(5-bromothiophen-3-yl)pent-4-yn-1-amine.
What is the SMILES notation for 1-(5-bromothiophen-3-yl)pent-4-yn-1-amine?
The canonical SMILES for 1-(5-bromothiophen-3-yl)pent-4-yn-1-amine is C#CCCC(N)c1csc(Br)c1.
What is the InChIKey of 1-(5-bromothiophen-3-yl)pent-4-yn-1-amine?
The InChIKey is GSUYTOJBWKRHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNS/c1-2-3-4-8(11)7-5-9(10)12-6-7/h1,5-6,8H,3-4,11H2.
What are the key properties of 1-(5-bromothiophen-3-yl)pent-4-yn-1-amine?
1-(5-bromothiophen-3-yl)pent-4-yn-1-amine has a molecular weight of 244.16 g/mol, XLogP of 2.92, 3 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)pent-4-yn-1-amine is sourced from PubChem (CID 105149125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).