N-[(4Z,6Z)-5-ethylsulfanylnona-4,6,8-trien-4-yl]methanimine

C12H19NS — CID 155276533

IUPACN-[(4Z,6Z)-5-ethylsulfanylnona-4,6,8-trien-4-yl]methanimine
SMILESC=C/C=C\C(SCC)=C(/CCC)N=C
InChIInChI=1S/C12H19NS/c1-5-8-10-12(14-7-3)11(13-4)9-6-2/h5,8,10H,1,4,6-7,9H2,2-3H3/b10-8-,12-11-
InChIKeyBXJIYDOBCAYHSJ-SIBMFBDYSA-N
MW209.36 g/mol
LogP4.19
Rot. Bonds7

About N-[(4Z,6Z)-5-ethylsulfanylnona-4,6,8-trien-4-yl]methanimine

N-[(4Z,6Z)-5-ethylsulfanylnona-4,6,8-trien-4-yl]methanimine (PubChem CID 155276533) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is N-[(4Z,6Z)-5-ethylsulfanylnona-4,6,8-trien-4-yl]methanimine.

Molecular Properties

Compound NameN-[(4Z,6Z)-5-ethylsulfanylnona-4,6,8-trien-4-yl]methanimine
PubChem CID155276533
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC NameN-[(4Z,6Z)-5-ethylsulfanylnona-4,6,8-trien-4-yl]methanimine
SMILESC=C/C=C\C(SCC)=C(/CCC)N=C
InChIInChI=1S/C12H19NS/c1-5-8-10-12(14-7-3)11(13-4)9-6-2/h5,8,10H,1,4,6-7,9H2,2-3H3/b10-8-,12-11-
InChIKeyBXJIYDOBCAYHSJ-SIBMFBDYSA-N
XLogP4.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 54.19
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-[(4Z,6Z)-5-ethylsulfanylnona-4,6,8-trien-4-yl]methanimine 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-[(4Z,6Z)-5-ethylsulfanylnona-4,6,8-trien-4-yl]methanimine?
The IUPAC name of N-[(4Z,6Z)-5-ethylsulfanylnona-4,6,8-trien-4-yl]methanimine (CID 155276533) is N-[(4Z,6Z)-5-ethylsulfanylnona-4,6,8-trien-4-yl]methanimine.
What is the SMILES notation for N-[(4Z,6Z)-5-ethylsulfanylnona-4,6,8-trien-4-yl]methanimine?
The canonical SMILES for N-[(4Z,6Z)-5-ethylsulfanylnona-4,6,8-trien-4-yl]methanimine is C=C/C=C\C(SCC)=C(/CCC)N=C.
What is the InChIKey of N-[(4Z,6Z)-5-ethylsulfanylnona-4,6,8-trien-4-yl]methanimine?
The InChIKey is BXJIYDOBCAYHSJ-SIBMFBDYSA-N. The full InChI is InChI=1S/C12H19NS/c1-5-8-10-12(14-7-3)11(13-4)9-6-2/h5,8,10H,1,4,6-7,9H2,2-3H3/b10-8-,12-11-.
What are the key properties of N-[(4Z,6Z)-5-ethylsulfanylnona-4,6,8-trien-4-yl]methanimine?
N-[(4Z,6Z)-5-ethylsulfanylnona-4,6,8-trien-4-yl]methanimine has a molecular weight of 209.36 g/mol, XLogP of 4.19, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4Z,6Z)-5-ethylsulfanylnona-4,6,8-trien-4-yl]methanimine is sourced from PubChem (CID 155276533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).