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

C10H14BrNS — CID 116660483

IUPAC1-(5-bromothiophen-2-yl)-N-methylpent-4-en-2-amine
SMILESC=CCC(Cc1ccc(Br)s1)NC
InChIInChI=1S/C10H14BrNS/c1-3-4-8(12-2)7-9-5-6-10(11)13-9/h3,5-6,8,12H,1,4,7H2,2H3
InChIKeyWPMKHUDUJFDPQE-UHFFFAOYSA-N
MW260.20 g/mol
LogP3.22
Rot. Bonds5

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

1-(5-bromothiophen-2-yl)-N-methylpent-4-en-2-amine (PubChem CID 116660483) has the molecular formula C10H14BrNS and a molecular weight of 260.20 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-N-methylpent-4-en-2-amine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-N-methylpent-4-en-2-amine
PubChem CID116660483
Molecular FormulaC10H14BrNS
Molecular Weight260.20 g/mol
Exact Mass259.00
IUPAC Name1-(5-bromothiophen-2-yl)-N-methylpent-4-en-2-amine
SMILESC=CCC(Cc1ccc(Br)s1)NC
InChIInChI=1S/C10H14BrNS/c1-3-4-8(12-2)7-9-5-6-10(11)13-9/h3,5-6,8,12H,1,4,7H2,2H3
InChIKeyWPMKHUDUJFDPQE-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
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-(4-bromophenyl)-3-(5-bromothiophen-2-yl)-N-methylpropan-2-amine
CID 62602232
1-(5-bromothiophen-2-yl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine
CID 65132170
1-(5-bromothiophen-2-yl)-N-methyl-3-propylsulfanylpropan-2-amine
CID 65128497
1-(4-bromophenyl)-N-methylpent-4-en-2-amine
CID 61380777
1-(5-bromothiophen-2-yl)-N-methylpropan-2-amine
CID 62602112
1-(5-bromothiophen-2-yl)-3-(2,6-difluorophenyl)-N-methylpropan-2-amine
CID 115840992
3-(5-bromothiophen-2-yl)-1,1-difluoro-N-methylpropan-2-amine
CID 103516504
1-(5-bromothiophen-2-yl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66053278
[1-(5-bromothiophen-2-yl)-4-methylpentan-2-yl]hydrazine
CID 105198819
1-(5-bromothiophen-2-yl)-4,4,4-trifluoro-N-methyl-3-(trifluoromethyl)butan-2-amine
CID 103311834
1-(5-bromothiophen-2-yl)-N-ethyl-4,4-dimethylpentan-2-amine
CID 63891302
2-(5-bromothiophen-2-yl)-N-methyl-1-(2-methylcyclopropyl)ethanamine
CID 65419540

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-N-methylpent-4-en-2-amine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-N-methylpent-4-en-2-amine (CID 116660483) is 1-(5-bromothiophen-2-yl)-N-methylpent-4-en-2-amine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-N-methylpent-4-en-2-amine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-N-methylpent-4-en-2-amine is C=CCC(Cc1ccc(Br)s1)NC.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-N-methylpent-4-en-2-amine?
The InChIKey is WPMKHUDUJFDPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNS/c1-3-4-8(12-2)7-9-5-6-10(11)13-9/h3,5-6,8,12H,1,4,7H2,2H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-N-methylpent-4-en-2-amine?
1-(5-bromothiophen-2-yl)-N-methylpent-4-en-2-amine has a molecular weight of 260.20 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-N-methylpent-4-en-2-amine is sourced from PubChem (CID 116660483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).