1-(4-ethylsulfanylphenyl)pent-4-en-1-amine

C13H19NS — CID 106848528

IUPAC1-(4-ethylsulfanylphenyl)pent-4-en-1-amine
SMILESC=CCCC(N)c1ccc(SCC)cc1
InChIInChI=1S/C13H19NS/c1-3-5-6-13(14)11-7-9-12(10-8-11)15-4-2/h3,7-10,13H,1,4-6,14H2,2H3
InChIKeyLJZBPIFFWSFWMI-UHFFFAOYSA-N
MW221.37 g/mol
LogP3.76
Rot. Bonds6

About 1-(4-ethylsulfanylphenyl)pent-4-en-1-amine

1-(4-ethylsulfanylphenyl)pent-4-en-1-amine (PubChem CID 106848528) has the molecular formula C13H19NS and a molecular weight of 221.37 g/mol. Its IUPAC name is 1-(4-ethylsulfanylphenyl)pent-4-en-1-amine.

Molecular Properties

Compound Name1-(4-ethylsulfanylphenyl)pent-4-en-1-amine
PubChem CID106848528
Molecular FormulaC13H19NS
Molecular Weight221.37 g/mol
Exact Mass221.12
IUPAC Name1-(4-ethylsulfanylphenyl)pent-4-en-1-amine
SMILESC=CCCC(N)c1ccc(SCC)cc1
InChIInChI=1S/C13H19NS/c1-3-5-6-13(14)11-7-9-12(10-8-11)15-4-2/h3,7-10,13H,1,4-6,14H2,2H3
InChIKeyLJZBPIFFWSFWMI-UHFFFAOYSA-N
XLogP3.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 53.76
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-ethylsulfanylphenyl)pent-4-enylhydrazine
CID 106850536
(1R)-1-(4-ethylphenyl)pent-4-en-1-amine
CID 171211235
1-(4-ethylsulfanylphenyl)-3-methylsulfanylpropan-1-amine
CID 116831553
(1S)-1-(4-tert-butylphenyl)pent-4-en-1-amine
CID 171221408
(1S)-1-(4-ethoxyphenyl)pent-4-en-1-amine
CID 171220253
4-[(1S)-1-aminopent-4-enyl]phenol
CID 171217735
(1S)-1-(4-ethylsulfanylphenyl)prop-2-en-1-amine
CID 171235699
1-(4-ethylsulfanylphenyl)-N',N'-dimethylpropane-1,3-diamine
CID 112518298
2-amino-2-(4-ethylsulfanylphenyl)ethanol
CID 77129802
(4-ethylsulfanylphenyl)methanediamine
CID 116939199
1-(4-ethylsulfanylphenyl)hex-5-yn-1-amine
CID 106848699
1-(4-ethylsulfanylphenyl)-4-ethylsulfonylbutan-1-amine
CID 106848542

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylsulfanylphenyl)pent-4-en-1-amine?
The IUPAC name of 1-(4-ethylsulfanylphenyl)pent-4-en-1-amine (CID 106848528) is 1-(4-ethylsulfanylphenyl)pent-4-en-1-amine.
What is the SMILES notation for 1-(4-ethylsulfanylphenyl)pent-4-en-1-amine?
The canonical SMILES for 1-(4-ethylsulfanylphenyl)pent-4-en-1-amine is C=CCCC(N)c1ccc(SCC)cc1.
What is the InChIKey of 1-(4-ethylsulfanylphenyl)pent-4-en-1-amine?
The InChIKey is LJZBPIFFWSFWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS/c1-3-5-6-13(14)11-7-9-12(10-8-11)15-4-2/h3,7-10,13H,1,4-6,14H2,2H3.
What are the key properties of 1-(4-ethylsulfanylphenyl)pent-4-en-1-amine?
1-(4-ethylsulfanylphenyl)pent-4-en-1-amine has a molecular weight of 221.37 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylsulfanylphenyl)pent-4-en-1-amine is sourced from PubChem (CID 106848528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).