(5Z,8Z)-8-ethenylsulfanyldeca-1,5,8-trien-4-amine

C12H19NS — CID 89256497

IUPAC(5Z,8Z)-8-ethenylsulfanyldeca-1,5,8-trien-4-amine
SMILESC=CCC(N)/C=C\C/C(=C/C)SC=C
InChIInChI=1S/C12H19NS/c1-4-8-11(13)9-7-10-12(5-2)14-6-3/h4-7,9,11H,1,3,8,10,13H2,2H3/b9-7-,12-5-
InChIKeyIMIYAYKSFUTMCG-NTNHMUGDSA-N
MW209.36 g/mol
LogP3.62
Rot. Bonds7

About (5Z,8Z)-8-ethenylsulfanyldeca-1,5,8-trien-4-amine

(5Z,8Z)-8-ethenylsulfanyldeca-1,5,8-trien-4-amine (PubChem CID 89256497) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is (5Z,8Z)-8-ethenylsulfanyldeca-1,5,8-trien-4-amine.

Molecular Properties

Compound Name(5Z,8Z)-8-ethenylsulfanyldeca-1,5,8-trien-4-amine
PubChem CID89256497
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Name(5Z,8Z)-8-ethenylsulfanyldeca-1,5,8-trien-4-amine
SMILESC=CCC(N)/C=C\C/C(=C/C)SC=C
InChIInChI=1S/C12H19NS/c1-4-8-11(13)9-7-10-12(5-2)14-6-3/h4-7,9,11H,1,3,8,10,13H2,2H3/b9-7-,12-5-
InChIKeyIMIYAYKSFUTMCG-NTNHMUGDSA-N
XLogP3.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5Z,8Z)-8-ethenylsulfanyldeca-1,5,8-trien-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5Z,8Z)-8-ethenylsulfanyldeca-1,5,8-trien-4-amine?
The IUPAC name of (5Z,8Z)-8-ethenylsulfanyldeca-1,5,8-trien-4-amine (CID 89256497) is (5Z,8Z)-8-ethenylsulfanyldeca-1,5,8-trien-4-amine.
What is the SMILES notation for (5Z,8Z)-8-ethenylsulfanyldeca-1,5,8-trien-4-amine?
The canonical SMILES for (5Z,8Z)-8-ethenylsulfanyldeca-1,5,8-trien-4-amine is C=CCC(N)/C=C\C/C(=C/C)SC=C.
What is the InChIKey of (5Z,8Z)-8-ethenylsulfanyldeca-1,5,8-trien-4-amine?
The InChIKey is IMIYAYKSFUTMCG-NTNHMUGDSA-N. The full InChI is InChI=1S/C12H19NS/c1-4-8-11(13)9-7-10-12(5-2)14-6-3/h4-7,9,11H,1,3,8,10,13H2,2H3/b9-7-,12-5-.
What are the key properties of (5Z,8Z)-8-ethenylsulfanyldeca-1,5,8-trien-4-amine?
(5Z,8Z)-8-ethenylsulfanyldeca-1,5,8-trien-4-amine has a molecular weight of 209.36 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z)-8-ethenylsulfanyldeca-1,5,8-trien-4-amine is sourced from PubChem (CID 89256497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).