N-ethyl-4-methyl-1-(2-methylsulfanylphenyl)pent-4-en-1-amine

C15H23NS — CID 105039440

IUPACN-ethyl-4-methyl-1-(2-methylsulfanylphenyl)pent-4-en-1-amine
SMILESC=C(C)CCC(NCC)c1ccccc1SC
InChIInChI=1S/C15H23NS/c1-5-16-14(11-10-12(2)3)13-8-6-7-9-15(13)17-4/h6-9,14,16H,2,5,10-11H2,1,3-4H3
InChIKeyRPBAJLREHSWFQQ-UHFFFAOYSA-N
MW249.42 g/mol
LogP4.42
Rot. Bonds7

About N-ethyl-4-methyl-1-(2-methylsulfanylphenyl)pent-4-en-1-amine

N-ethyl-4-methyl-1-(2-methylsulfanylphenyl)pent-4-en-1-amine (PubChem CID 105039440) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is N-ethyl-4-methyl-1-(2-methylsulfanylphenyl)pent-4-en-1-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-1-(2-methylsulfanylphenyl)pent-4-en-1-amine
PubChem CID105039440
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC NameN-ethyl-4-methyl-1-(2-methylsulfanylphenyl)pent-4-en-1-amine
SMILESC=C(C)CCC(NCC)c1ccccc1SC
InChIInChI=1S/C15H23NS/c1-5-16-14(11-10-12(2)3)13-8-6-7-9-15(13)17-4/h6-9,14,16H,2,5,10-11H2,1,3-4H3
InChIKeyRPBAJLREHSWFQQ-UHFFFAOYSA-N
XLogP4.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 54.42
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

4-methyl-1-(2-methylsulfanylphenyl)pent-4-en-1-amine
CID 105039765
N-ethyl-1-(2-methylsulfanylphenyl)pent-4-yn-1-amine
CID 115859311
N-ethyl-4-methoxy-1-(2-methylsulfanylphenyl)butan-1-amine
CID 105054904
N-ethyl-1-[5-fluoro-2-(trifluoromethyl)phenyl]-4-methylpent-4-en-1-amine
CID 114475641
1-(4-chloro-2-methylphenyl)-N-ethyl-4-methylpent-4-en-1-amine
CID 114028358
1-(2-methoxyphenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 114474078
N-ethyl-4-methyl-1-(2,3,4,5,6-pentafluorophenyl)pent-4-en-1-amine
CID 105039596
2-methyl-1-(2-methylsulfanylphenyl)-N-propylprop-2-en-1-amine
CID 105005378
2-(2,6-dichlorophenyl)-N-ethyl-1-(2-methylsulfanylphenyl)ethanamine
CID 115830311
1-(4-ethoxyphenyl)-N-ethyl-4-methylpent-4-en-1-amine
CID 105039267
N-ethyl-2-(4-fluoro-2-methylphenyl)-1-(2-methylsulfanylphenyl)ethanamine
CID 105051078
N-ethyl-1-isoquinolin-1-yl-4-methylpent-4-en-1-amine
CID 114474759

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-1-(2-methylsulfanylphenyl)pent-4-en-1-amine?
The IUPAC name of N-ethyl-4-methyl-1-(2-methylsulfanylphenyl)pent-4-en-1-amine (CID 105039440) is N-ethyl-4-methyl-1-(2-methylsulfanylphenyl)pent-4-en-1-amine.
What is the SMILES notation for N-ethyl-4-methyl-1-(2-methylsulfanylphenyl)pent-4-en-1-amine?
The canonical SMILES for N-ethyl-4-methyl-1-(2-methylsulfanylphenyl)pent-4-en-1-amine is C=C(C)CCC(NCC)c1ccccc1SC.
What is the InChIKey of N-ethyl-4-methyl-1-(2-methylsulfanylphenyl)pent-4-en-1-amine?
The InChIKey is RPBAJLREHSWFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-5-16-14(11-10-12(2)3)13-8-6-7-9-15(13)17-4/h6-9,14,16H,2,5,10-11H2,1,3-4H3.
What are the key properties of N-ethyl-4-methyl-1-(2-methylsulfanylphenyl)pent-4-en-1-amine?
N-ethyl-4-methyl-1-(2-methylsulfanylphenyl)pent-4-en-1-amine has a molecular weight of 249.42 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-1-(2-methylsulfanylphenyl)pent-4-en-1-amine is sourced from PubChem (CID 105039440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).