1-(4-ethylsulfanylphenyl)-4-methyl-N-propylpent-4-en-1-amine

C17H27NS — CID 106849339

IUPAC1-(4-ethylsulfanylphenyl)-4-methyl-N-propylpent-4-en-1-amine
SMILESC=C(C)CCC(NCCC)c1ccc(SCC)cc1
InChIInChI=1S/C17H27NS/c1-5-13-18-17(12-7-14(3)4)15-8-10-16(11-9-15)19-6-2/h8-11,17-18H,3,5-7,12-13H2,1-2,4H3
InChIKeyOYTYLJGFJWLCBO-UHFFFAOYSA-N
MW277.48 g/mol
LogP5.20
Rot. Bonds9

About 1-(4-ethylsulfanylphenyl)-4-methyl-N-propylpent-4-en-1-amine

1-(4-ethylsulfanylphenyl)-4-methyl-N-propylpent-4-en-1-amine (PubChem CID 106849339) has the molecular formula C17H27NS and a molecular weight of 277.48 g/mol. Its IUPAC name is 1-(4-ethylsulfanylphenyl)-4-methyl-N-propylpent-4-en-1-amine.

Molecular Properties

Compound Name1-(4-ethylsulfanylphenyl)-4-methyl-N-propylpent-4-en-1-amine
PubChem CID106849339
Molecular FormulaC17H27NS
Molecular Weight277.48 g/mol
Exact Mass277.19
IUPAC Name1-(4-ethylsulfanylphenyl)-4-methyl-N-propylpent-4-en-1-amine
SMILESC=C(C)CCC(NCCC)c1ccc(SCC)cc1
InChIInChI=1S/C17H27NS/c1-5-13-18-17(12-7-14(3)4)15-8-10-16(11-9-15)19-6-2/h8-11,17-18H,3,5-7,12-13H2,1-2,4H3
InChIKeyOYTYLJGFJWLCBO-UHFFFAOYSA-N
XLogP5.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.48
LogP ≤ 55.20
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-iodophenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 105039748
1-(4-ethylsulfanylphenyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 106849254
1-(4-ethylsulfanylphenyl)-5-methyl-N-propylhexan-1-amine
CID 106849361
1-(3,4-dichlorophenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 114475621
1-(4-ethylsulfanylphenyl)-4-methylpent-4-en-1-ol
CID 106848426
1-(3,4-dimethoxyphenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 114474092
1-(3-fluoro-5-methylphenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 114475635
1-(2,5-dimethylphenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 105039435
N-ethyl-4-methyl-1-[4-(trifluoromethyl)phenyl]pent-4-en-1-amine
CID 105039166
N-[1-(4-ethylsulfanylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 106849283
1-(2,6-difluoro-3-methylphenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 105039592
1-(2-methoxyphenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 114474078

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylsulfanylphenyl)-4-methyl-N-propylpent-4-en-1-amine?
The IUPAC name of 1-(4-ethylsulfanylphenyl)-4-methyl-N-propylpent-4-en-1-amine (CID 106849339) is 1-(4-ethylsulfanylphenyl)-4-methyl-N-propylpent-4-en-1-amine.
What is the SMILES notation for 1-(4-ethylsulfanylphenyl)-4-methyl-N-propylpent-4-en-1-amine?
The canonical SMILES for 1-(4-ethylsulfanylphenyl)-4-methyl-N-propylpent-4-en-1-amine is C=C(C)CCC(NCCC)c1ccc(SCC)cc1.
What is the InChIKey of 1-(4-ethylsulfanylphenyl)-4-methyl-N-propylpent-4-en-1-amine?
The InChIKey is OYTYLJGFJWLCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NS/c1-5-13-18-17(12-7-14(3)4)15-8-10-16(11-9-15)19-6-2/h8-11,17-18H,3,5-7,12-13H2,1-2,4H3.
What are the key properties of 1-(4-ethylsulfanylphenyl)-4-methyl-N-propylpent-4-en-1-amine?
1-(4-ethylsulfanylphenyl)-4-methyl-N-propylpent-4-en-1-amine has a molecular weight of 277.48 g/mol, XLogP of 5.20, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylsulfanylphenyl)-4-methyl-N-propylpent-4-en-1-amine is sourced from PubChem (CID 106849339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).