5-(3-bromothiophen-2-yl)-4-methylpent-3-en-1-amine

C10H14BrNS — CID 79592689

IUPAC5-(3-bromothiophen-2-yl)-4-methylpent-3-en-1-amine
SMILESCC(=CCCN)Cc1sccc1Br
InChIInChI=1S/C10H14BrNS/c1-8(3-2-5-12)7-10-9(11)4-6-13-10/h3-4,6H,2,5,7,12H2,1H3
InChIKeyQFHDIYVYQUOOCT-UHFFFAOYSA-N
MW260.20 g/mol
LogP3.35
Rot. Bonds4

About 5-(3-bromothiophen-2-yl)-4-methylpent-3-en-1-amine

5-(3-bromothiophen-2-yl)-4-methylpent-3-en-1-amine (PubChem CID 79592689) has the molecular formula C10H14BrNS and a molecular weight of 260.20 g/mol. Its IUPAC name is 5-(3-bromothiophen-2-yl)-4-methylpent-3-en-1-amine.

Molecular Properties

Compound Name5-(3-bromothiophen-2-yl)-4-methylpent-3-en-1-amine
PubChem CID79592689
Molecular FormulaC10H14BrNS
Molecular Weight260.20 g/mol
Exact Mass259.00
IUPAC Name5-(3-bromothiophen-2-yl)-4-methylpent-3-en-1-amine
SMILESCC(=CCCN)Cc1sccc1Br
InChIInChI=1S/C10H14BrNS/c1-8(3-2-5-12)7-10-9(11)4-6-13-10/h3-4,6H,2,5,7,12H2,1H3
InChIKeyQFHDIYVYQUOOCT-UHFFFAOYSA-N
XLogP3.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.20
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-bromothiophen-2-yl)-3,3-dimethylbutan-2-one
CID 62620042
3-amino-1-(3-bromothiophen-2-yl)-4,4,4-trifluoro-3-methylbutan-2-one
CID 116593076
1-(3-bromo-2-methylphenyl)-2-(3-bromothiophen-2-yl)ethanone
CID 114969803
(E)-4-thiophen-2-ylpent-3-en-1-amine
CID 82074766
2-(3-bromothiophen-2-yl)-1-(2,3-dimethylphenyl)ethanone
CID 114969742
1-(2-aminophenyl)-2-(3-bromothiophen-2-yl)ethanone
CID 64829244
1-(2-bromothiophen-3-yl)-2-(3-bromothiophen-2-yl)ethanone
CID 164654006
2-(aminomethyl)-3-(3-bromothiophen-2-yl)propan-1-ol
CID 63215836
(3-bromothiophen-2-yl)methylboronic acid
CID 63702766
1-[2-(aminomethyl)-1,3-thiazol-4-yl]-2-(3-bromothiophen-2-yl)ethanone
CID 116585266
1-(3-bromothiophen-2-yl)-3-(2,6-difluorophenyl)propan-2-one
CID 114969770
2-(aminomethyl)-2-[(3-bromothiophen-2-yl)methyl]butan-1-ol
CID 106508309

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromothiophen-2-yl)-4-methylpent-3-en-1-amine?
The IUPAC name of 5-(3-bromothiophen-2-yl)-4-methylpent-3-en-1-amine (CID 79592689) is 5-(3-bromothiophen-2-yl)-4-methylpent-3-en-1-amine.
What is the SMILES notation for 5-(3-bromothiophen-2-yl)-4-methylpent-3-en-1-amine?
The canonical SMILES for 5-(3-bromothiophen-2-yl)-4-methylpent-3-en-1-amine is CC(=CCCN)Cc1sccc1Br.
What is the InChIKey of 5-(3-bromothiophen-2-yl)-4-methylpent-3-en-1-amine?
The InChIKey is QFHDIYVYQUOOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNS/c1-8(3-2-5-12)7-10-9(11)4-6-13-10/h3-4,6H,2,5,7,12H2,1H3.
What are the key properties of 5-(3-bromothiophen-2-yl)-4-methylpent-3-en-1-amine?
5-(3-bromothiophen-2-yl)-4-methylpent-3-en-1-amine has a molecular weight of 260.20 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromothiophen-2-yl)-4-methylpent-3-en-1-amine is sourced from PubChem (CID 79592689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).