N-[(1Z)-3-[(3Z,5Z)-octa-1,3,5-trien-2-yl]sulfanylbuta-1,3-dienyl]ethanimine

C14H19NS — CID 167138529

IUPACN-[(1Z)-3-[(3Z,5Z)-octa-1,3,5-trien-2-yl]sulfanylbuta-1,3-dienyl]ethanimine
SMILESC=C(/C=C\C=C/CC)SC(=C)/C=C\N=C\C
InChIInChI=1S/C14H19NS/c1-5-7-8-9-10-13(3)16-14(4)11-12-15-6-2/h6-12H,3-5H2,1-2H3/b8-7-,10-9-,12-11-,15-6+
InChIKeyFLUVPKBOMVQJQP-XUITVBTLSA-N
MW233.38 g/mol
LogP4.87
Rot. Bonds7

About N-[(1Z)-3-[(3Z,5Z)-octa-1,3,5-trien-2-yl]sulfanylbuta-1,3-dienyl]ethanimine

N-[(1Z)-3-[(3Z,5Z)-octa-1,3,5-trien-2-yl]sulfanylbuta-1,3-dienyl]ethanimine (PubChem CID 167138529) has the molecular formula C14H19NS and a molecular weight of 233.38 g/mol. Its IUPAC name is N-[(1Z)-3-[(3Z,5Z)-octa-1,3,5-trien-2-yl]sulfanylbuta-1,3-dienyl]ethanimine.

Molecular Properties

Compound NameN-[(1Z)-3-[(3Z,5Z)-octa-1,3,5-trien-2-yl]sulfanylbuta-1,3-dienyl]ethanimine
PubChem CID167138529
Molecular FormulaC14H19NS
Molecular Weight233.38 g/mol
Exact Mass233.12
IUPAC NameN-[(1Z)-3-[(3Z,5Z)-octa-1,3,5-trien-2-yl]sulfanylbuta-1,3-dienyl]ethanimine
SMILESC=C(/C=C\C=C/CC)SC(=C)/C=C\N=C\C
InChIInChI=1S/C14H19NS/c1-5-7-8-9-10-13(3)16-14(4)11-12-15-6-2/h6-12H,3-5H2,1-2H3/b8-7-,10-9-,12-11-,15-6+
InChIKeyFLUVPKBOMVQJQP-XUITVBTLSA-N
XLogP4.87
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-[(1Z)-3-[(3Z,5Z)-octa-1,3,5-trien-2-yl]sulfanylbuta-1,3-dienyl]ethanimine 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 N-[(1Z)-3-[(3Z,5Z)-octa-1,3,5-trien-2-yl]sulfanylbuta-1,3-dienyl]ethanimine?
The IUPAC name of N-[(1Z)-3-[(3Z,5Z)-octa-1,3,5-trien-2-yl]sulfanylbuta-1,3-dienyl]ethanimine (CID 167138529) is N-[(1Z)-3-[(3Z,5Z)-octa-1,3,5-trien-2-yl]sulfanylbuta-1,3-dienyl]ethanimine.
What is the SMILES notation for N-[(1Z)-3-[(3Z,5Z)-octa-1,3,5-trien-2-yl]sulfanylbuta-1,3-dienyl]ethanimine?
The canonical SMILES for N-[(1Z)-3-[(3Z,5Z)-octa-1,3,5-trien-2-yl]sulfanylbuta-1,3-dienyl]ethanimine is C=C(/C=C\C=C/CC)SC(=C)/C=C\N=C\C.
What is the InChIKey of N-[(1Z)-3-[(3Z,5Z)-octa-1,3,5-trien-2-yl]sulfanylbuta-1,3-dienyl]ethanimine?
The InChIKey is FLUVPKBOMVQJQP-XUITVBTLSA-N. The full InChI is InChI=1S/C14H19NS/c1-5-7-8-9-10-13(3)16-14(4)11-12-15-6-2/h6-12H,3-5H2,1-2H3/b8-7-,10-9-,12-11-,15-6+.
What are the key properties of N-[(1Z)-3-[(3Z,5Z)-octa-1,3,5-trien-2-yl]sulfanylbuta-1,3-dienyl]ethanimine?
N-[(1Z)-3-[(3Z,5Z)-octa-1,3,5-trien-2-yl]sulfanylbuta-1,3-dienyl]ethanimine has a molecular weight of 233.38 g/mol, XLogP of 4.87, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-3-[(3Z,5Z)-octa-1,3,5-trien-2-yl]sulfanylbuta-1,3-dienyl]ethanimine is sourced from PubChem (CID 167138529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).