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

C12H18BrNS — CID 114474803

IUPAC1-(4-bromothiophen-2-yl)-N-ethyl-4-methylpent-4-en-1-amine
SMILESC=C(C)CCC(NCC)c1cc(Br)cs1
InChIInChI=1S/C12H18BrNS/c1-4-14-11(6-5-9(2)3)12-7-10(13)8-15-12/h7-8,11,14H,2,4-6H2,1,3H3
InChIKeySTVXVGPVVSXRSR-UHFFFAOYSA-N
MW288.25 g/mol
LogP4.52
Rot. Bonds6

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

1-(4-bromothiophen-2-yl)-N-ethyl-4-methylpent-4-en-1-amine (PubChem CID 114474803) has the molecular formula C12H18BrNS and a molecular weight of 288.25 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-N-ethyl-4-methylpent-4-en-1-amine.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-N-ethyl-4-methylpent-4-en-1-amine
PubChem CID114474803
Molecular FormulaC12H18BrNS
Molecular Weight288.25 g/mol
Exact Mass287.03
IUPAC Name1-(4-bromothiophen-2-yl)-N-ethyl-4-methylpent-4-en-1-amine
SMILESC=C(C)CCC(NCC)c1cc(Br)cs1
InChIInChI=1S/C12H18BrNS/c1-4-14-11(6-5-9(2)3)12-7-10(13)8-15-12/h7-8,11,14H,2,4-6H2,1,3H3
InChIKeySTVXVGPVVSXRSR-UHFFFAOYSA-N
XLogP4.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 54.52
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-(5-bromothiophen-2-yl)-N-ethyl-4-methylpent-4-en-1-amine
CID 114474799
1-(3,5-dichlorophenyl)-N-ethyl-4-methylpent-4-en-1-amine
CID 105039546
N-ethyl-1-(6-fluoro-1-benzothiophen-2-yl)-4-methylpent-4-en-1-amine
CID 105039626
N-ethyl-4-methyl-1-(3-methylthiophen-2-yl)pent-4-en-1-amine
CID 105039269
1-(5-bromothiophen-3-yl)-N,4-dimethylpent-4-en-1-amine
CID 105182683
1-(4-chloro-2-methylphenyl)-N-ethyl-4-methylpent-4-en-1-amine
CID 114028358
N-ethyl-4-methyl-1-(2,3,4,5,6-pentafluorophenyl)pent-4-en-1-amine
CID 105039596
1-(4-bromothiophen-2-yl)butylhydrazine
CID 105222377
N-ethyl-4-methyl-1-(1,2,5-thiadiazol-3-yl)pent-4-en-1-amine
CID 105182650
1-(4-bromo-2-methylphenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 105039445
1-(4-bromothiophen-2-yl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82877085
N-ethyl-1-(5-methoxy-1-methylpyrazol-3-yl)-4-methylpent-4-en-1-amine
CID 114255542

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-N-ethyl-4-methylpent-4-en-1-amine?
The IUPAC name of 1-(4-bromothiophen-2-yl)-N-ethyl-4-methylpent-4-en-1-amine (CID 114474803) is 1-(4-bromothiophen-2-yl)-N-ethyl-4-methylpent-4-en-1-amine.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-N-ethyl-4-methylpent-4-en-1-amine?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-N-ethyl-4-methylpent-4-en-1-amine is C=C(C)CCC(NCC)c1cc(Br)cs1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-N-ethyl-4-methylpent-4-en-1-amine?
The InChIKey is STVXVGPVVSXRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNS/c1-4-14-11(6-5-9(2)3)12-7-10(13)8-15-12/h7-8,11,14H,2,4-6H2,1,3H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-N-ethyl-4-methylpent-4-en-1-amine?
1-(4-bromothiophen-2-yl)-N-ethyl-4-methylpent-4-en-1-amine has a molecular weight of 288.25 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-N-ethyl-4-methylpent-4-en-1-amine is sourced from PubChem (CID 114474803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).