(3E,4E,7Z)-N,5-dimethyl-6-methylidene-8-methylsulfanyl-3-propylideneocta-4,7-dien-2-imine

C15H23NS — CID 126491003

IUPAC(3E,4E,7Z)-N,5-dimethyl-6-methylidene-8-methylsulfanyl-3-propylideneocta-4,7-dien-2-imine
SMILESC=C(/C=C\SC)/C(C)=C/C(=C\CC)/C(C)=N/C
InChIInChI=1S/C15H23NS/c1-7-8-15(14(4)16-5)11-13(3)12(2)9-10-17-6/h8-11H,2,7H2,1,3-6H3/b10-9-,13-11+,15-8+,16-14+
InChIKeyRKOASHKSLZRQCC-ZAXNODELSA-N
MW249.42 g/mol
LogP4.79
Rot. Bonds6

About (3E,4E,7Z)-N,5-dimethyl-6-methylidene-8-methylsulfanyl-3-propylideneocta-4,7-dien-2-imine

(3E,4E,7Z)-N,5-dimethyl-6-methylidene-8-methylsulfanyl-3-propylideneocta-4,7-dien-2-imine (PubChem CID 126491003) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is (3E,4E,7Z)-N,5-dimethyl-6-methylidene-8-methylsulfanyl-3-propylideneocta-4,7-dien-2-imine.

Molecular Properties

Compound Name(3E,4E,7Z)-N,5-dimethyl-6-methylidene-8-methylsulfanyl-3-propylideneocta-4,7-dien-2-imine
PubChem CID126491003
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC Name(3E,4E,7Z)-N,5-dimethyl-6-methylidene-8-methylsulfanyl-3-propylideneocta-4,7-dien-2-imine
SMILESC=C(/C=C\SC)/C(C)=C/C(=C\CC)/C(C)=N/C
InChIInChI=1S/C15H23NS/c1-7-8-15(14(4)16-5)11-13(3)12(2)9-10-17-6/h8-11H,2,7H2,1,3-6H3/b10-9-,13-11+,15-8+,16-14+
InChIKeyRKOASHKSLZRQCC-ZAXNODELSA-N
XLogP4.79
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 54.79
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 (3E,4E,7Z)-N,5-dimethyl-6-methylidene-8-methylsulfanyl-3-propylideneocta-4,7-dien-2-imine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3E,4E,7Z)-N,5-dimethyl-6-methylidene-8-methylsulfanyl-3-propylideneocta-4,7-dien-2-imine?
The IUPAC name of (3E,4E,7Z)-N,5-dimethyl-6-methylidene-8-methylsulfanyl-3-propylideneocta-4,7-dien-2-imine (CID 126491003) is (3E,4E,7Z)-N,5-dimethyl-6-methylidene-8-methylsulfanyl-3-propylideneocta-4,7-dien-2-imine.
What is the SMILES notation for (3E,4E,7Z)-N,5-dimethyl-6-methylidene-8-methylsulfanyl-3-propylideneocta-4,7-dien-2-imine?
The canonical SMILES for (3E,4E,7Z)-N,5-dimethyl-6-methylidene-8-methylsulfanyl-3-propylideneocta-4,7-dien-2-imine is C=C(/C=C\SC)/C(C)=C/C(=C\CC)/C(C)=N/C.
What is the InChIKey of (3E,4E,7Z)-N,5-dimethyl-6-methylidene-8-methylsulfanyl-3-propylideneocta-4,7-dien-2-imine?
The InChIKey is RKOASHKSLZRQCC-ZAXNODELSA-N. The full InChI is InChI=1S/C15H23NS/c1-7-8-15(14(4)16-5)11-13(3)12(2)9-10-17-6/h8-11H,2,7H2,1,3-6H3/b10-9-,13-11+,15-8+,16-14+.
What are the key properties of (3E,4E,7Z)-N,5-dimethyl-6-methylidene-8-methylsulfanyl-3-propylideneocta-4,7-dien-2-imine?
(3E,4E,7Z)-N,5-dimethyl-6-methylidene-8-methylsulfanyl-3-propylideneocta-4,7-dien-2-imine has a molecular weight of 249.42 g/mol, XLogP of 4.79, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,4E,7Z)-N,5-dimethyl-6-methylidene-8-methylsulfanyl-3-propylideneocta-4,7-dien-2-imine is sourced from PubChem (CID 126491003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).