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

C10H14BrNS — CID 104987232

IUPAC1-(3-bromothiophen-2-yl)-N-methylpent-4-en-1-amine
SMILESC=CCCC(NC)c1sccc1Br
InChIInChI=1S/C10H14BrNS/c1-3-4-5-9(12-2)10-8(11)6-7-13-10/h3,6-7,9,12H,1,4-5H2,2H3
InChIKeyJMHTVPQAMUMZHH-UHFFFAOYSA-N
MW260.20 g/mol
LogP3.74
Rot. Bonds5

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

1-(3-bromothiophen-2-yl)-N-methylpent-4-en-1-amine (PubChem CID 104987232) has the molecular formula C10H14BrNS and a molecular weight of 260.20 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-N-methylpent-4-en-1-amine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-N-methylpent-4-en-1-amine
PubChem CID104987232
Molecular FormulaC10H14BrNS
Molecular Weight260.20 g/mol
Exact Mass259.00
IUPAC Name1-(3-bromothiophen-2-yl)-N-methylpent-4-en-1-amine
SMILESC=CCCC(NC)c1sccc1Br
InChIInChI=1S/C10H14BrNS/c1-3-4-5-9(12-2)10-8(11)6-7-13-10/h3,6-7,9,12H,1,4-5H2,2H3
InChIKeyJMHTVPQAMUMZHH-UHFFFAOYSA-N
XLogP3.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.20
LogP ≤ 53.74
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)-N-methyloctan-1-amine
CID 80534752
1-(3-bromothiophen-2-yl)-N-methyl-3-methylsulfonylpropan-1-amine
CID 115848103
1-(3-bromothiophen-2-yl)-5,5,5-trifluoro-N-methylpentan-1-amine
CID 105023831
1-[(1S)-1-(3-bromothiophen-2-yl)pent-4-enyl]piperazine;dihydrochloride
CID 171281061
1-(3-bromo-2-methylphenyl)-N-methylpent-4-en-1-amine
CID 104987320
1-(4-bromo-3-chlorophenyl)-N-methylpent-4-en-1-amine
CID 104987729
2-(3-bromophenyl)-1-(3-bromothiophen-2-yl)-N-methylethanamine
CID 63797942
N-[(3-bromothiophen-2-yl)methyl]hex-5-en-2-amine
CID 104583115
1-(2-bromo-5-fluorophenyl)-N-methylpent-4-en-1-amine
CID 104987330
1-(3-bromothiophen-2-yl)-N-ethylundecan-1-amine
CID 115845930
N-methyl-1-(4-methylthiadiazol-5-yl)pent-4-en-1-amine
CID 105153409
2-(3-bromothiophen-2-yl)-2-(2,2-dimethylhydrazinyl)ethanamine
CID 83011912

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-N-methylpent-4-en-1-amine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-N-methylpent-4-en-1-amine (CID 104987232) is 1-(3-bromothiophen-2-yl)-N-methylpent-4-en-1-amine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-N-methylpent-4-en-1-amine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-N-methylpent-4-en-1-amine is C=CCCC(NC)c1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-N-methylpent-4-en-1-amine?
The InChIKey is JMHTVPQAMUMZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNS/c1-3-4-5-9(12-2)10-8(11)6-7-13-10/h3,6-7,9,12H,1,4-5H2,2H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-N-methylpent-4-en-1-amine?
1-(3-bromothiophen-2-yl)-N-methylpent-4-en-1-amine has a molecular weight of 260.20 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-N-methylpent-4-en-1-amine is sourced from PubChem (CID 104987232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).