(E)-N-(1-ethenylsulfanylpentan-2-yl)-2-(1-fluoroethenyl)-3-methylpent-2-en-1-amine

C15H26FNS — CID 155723572

IUPAC(E)-N-(1-ethenylsulfanylpentan-2-yl)-2-(1-fluoroethenyl)-3-methylpent-2-en-1-amine
SMILESC=CSCC(CCC)NC/C(C(=C)F)=C(/C)CC
InChIInChI=1S/C15H26FNS/c1-6-9-14(11-18-8-3)17-10-15(13(5)16)12(4)7-2/h8,14,17H,3,5-7,9-11H2,1-2,4H3/b15-12+
InChIKeyFYGPSKQGHHEDIV-NTCAYCPXSA-N
MW271.44 g/mol
LogP4.83
Rot. Bonds10

About (E)-N-(1-ethenylsulfanylpentan-2-yl)-2-(1-fluoroethenyl)-3-methylpent-2-en-1-amine

(E)-N-(1-ethenylsulfanylpentan-2-yl)-2-(1-fluoroethenyl)-3-methylpent-2-en-1-amine (PubChem CID 155723572) has the molecular formula C15H26FNS and a molecular weight of 271.44 g/mol. Its IUPAC name is (E)-N-(1-ethenylsulfanylpentan-2-yl)-2-(1-fluoroethenyl)-3-methylpent-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-(1-ethenylsulfanylpentan-2-yl)-2-(1-fluoroethenyl)-3-methylpent-2-en-1-amine
PubChem CID155723572
Molecular FormulaC15H26FNS
Molecular Weight271.44 g/mol
Exact Mass271.18
IUPAC Name(E)-N-(1-ethenylsulfanylpentan-2-yl)-2-(1-fluoroethenyl)-3-methylpent-2-en-1-amine
SMILESC=CSCC(CCC)NC/C(C(=C)F)=C(/C)CC
InChIInChI=1S/C15H26FNS/c1-6-9-14(11-18-8-3)17-10-15(13(5)16)12(4)7-2/h8,14,17H,3,5-7,9-11H2,1-2,4H3/b15-12+
InChIKeyFYGPSKQGHHEDIV-NTCAYCPXSA-N
XLogP4.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.44
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(1-ethenylsulfanylpentan-2-yl)-2-(1-fluoroethenyl)-3-methylpent-2-en-1-amine?
The IUPAC name of (E)-N-(1-ethenylsulfanylpentan-2-yl)-2-(1-fluoroethenyl)-3-methylpent-2-en-1-amine (CID 155723572) is (E)-N-(1-ethenylsulfanylpentan-2-yl)-2-(1-fluoroethenyl)-3-methylpent-2-en-1-amine.
What is the SMILES notation for (E)-N-(1-ethenylsulfanylpentan-2-yl)-2-(1-fluoroethenyl)-3-methylpent-2-en-1-amine?
The canonical SMILES for (E)-N-(1-ethenylsulfanylpentan-2-yl)-2-(1-fluoroethenyl)-3-methylpent-2-en-1-amine is C=CSCC(CCC)NC/C(C(=C)F)=C(/C)CC.
What is the InChIKey of (E)-N-(1-ethenylsulfanylpentan-2-yl)-2-(1-fluoroethenyl)-3-methylpent-2-en-1-amine?
The InChIKey is FYGPSKQGHHEDIV-NTCAYCPXSA-N. The full InChI is InChI=1S/C15H26FNS/c1-6-9-14(11-18-8-3)17-10-15(13(5)16)12(4)7-2/h8,14,17H,3,5-7,9-11H2,1-2,4H3/b15-12+.
What are the key properties of (E)-N-(1-ethenylsulfanylpentan-2-yl)-2-(1-fluoroethenyl)-3-methylpent-2-en-1-amine?
(E)-N-(1-ethenylsulfanylpentan-2-yl)-2-(1-fluoroethenyl)-3-methylpent-2-en-1-amine has a molecular weight of 271.44 g/mol, XLogP of 4.83, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1-ethenylsulfanylpentan-2-yl)-2-(1-fluoroethenyl)-3-methylpent-2-en-1-amine is sourced from PubChem (CID 155723572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).