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

C10H14BrNS — CID 79590546

IUPAC5-(3-bromothiophen-2-yl)-N-methylpent-3-en-1-amine
SMILESCNCCC=CCc1sccc1Br
InChIInChI=1S/C10H14BrNS/c1-12-7-4-2-3-5-10-9(11)6-8-13-10/h2-3,6,8,12H,4-5,7H2,1H3
InChIKeyBCAFAKYFTLWCDZ-UHFFFAOYSA-N
MW260.20 g/mol
LogP3.22
Rot. Bonds5

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

5-(3-bromothiophen-2-yl)-N-methylpent-3-en-1-amine (PubChem CID 79590546) has the molecular formula C10H14BrNS and a molecular weight of 260.20 g/mol. Its IUPAC name is 5-(3-bromothiophen-2-yl)-N-methylpent-3-en-1-amine.

Molecular Properties

Compound Name5-(3-bromothiophen-2-yl)-N-methylpent-3-en-1-amine
PubChem CID79590546
Molecular FormulaC10H14BrNS
Molecular Weight260.20 g/mol
Exact Mass259.00
IUPAC Name5-(3-bromothiophen-2-yl)-N-methylpent-3-en-1-amine
SMILESCNCCC=CCc1sccc1Br
InChIInChI=1S/C10H14BrNS/c1-12-7-4-2-3-5-10-9(11)6-8-13-10/h2-3,6,8,12H,4-5,7H2,1H3
InChIKeyBCAFAKYFTLWCDZ-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[5-(3-bromothiophen-2-yl)pent-3-enyl]cyclopropanamine
CID 79591623
6-(3-bromothiophen-2-yl)-N-methylhexan-1-amine
CID 80536931
4-(3-bromothiophen-2-yl)-N,3,3-trimethylbutan-1-amine
CID 81022935
(E)-4-(3-chlorothiophen-2-yl)-N-methylbut-3-en-1-amine
CID 107361178
2-[(3-bromothiophen-2-yl)methyl]-N,3,3-trimethylbutan-1-amine
CID 83138413
2-[(3-bromothiophen-2-yl)methylamino]-2-methylpropane-1,3-diol
CID 75525074
3-(3-bromothiophen-2-yl)-N-propylpropan-1-amine
CID 62530405
5-(3-bromothiophen-2-yl)-4-methylpent-3-en-1-amine
CID 79592689
5-(3-bromothiophen-2-yl)-N-ethylpentan-1-amine
CID 80536845
3-(3-bromothiophen-2-yl)-2-cyclopropyl-N,2-dimethylpropan-1-amine
CID 83148633
N-[(3-bromothiophen-2-yl)methyl]hex-5-en-2-amine
CID 104583115
1-[1-[(3-bromothiophen-2-yl)methyl]pyrrol-2-yl]-N-methylmethanamine
CID 66400760

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromothiophen-2-yl)-N-methylpent-3-en-1-amine?
The IUPAC name of 5-(3-bromothiophen-2-yl)-N-methylpent-3-en-1-amine (CID 79590546) is 5-(3-bromothiophen-2-yl)-N-methylpent-3-en-1-amine.
What is the SMILES notation for 5-(3-bromothiophen-2-yl)-N-methylpent-3-en-1-amine?
The canonical SMILES for 5-(3-bromothiophen-2-yl)-N-methylpent-3-en-1-amine is CNCCC=CCc1sccc1Br.
What is the InChIKey of 5-(3-bromothiophen-2-yl)-N-methylpent-3-en-1-amine?
The InChIKey is BCAFAKYFTLWCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNS/c1-12-7-4-2-3-5-10-9(11)6-8-13-10/h2-3,6,8,12H,4-5,7H2,1H3.
What are the key properties of 5-(3-bromothiophen-2-yl)-N-methylpent-3-en-1-amine?
5-(3-bromothiophen-2-yl)-N-methylpent-3-en-1-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 5-(3-bromothiophen-2-yl)-N-methylpent-3-en-1-amine is sourced from PubChem (CID 79590546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).