(6Z)-6-[(E)-2,3-dimethylpent-2-enylidene]-N-methyl-4-[(1Z,3E)-2-methyl-1-methylsulfanylhexa-1,3-dienyl]-2-propylcyclohexa-2,4-dien-1-imine

C25H37NS — CID 146488241

IUPAC(6Z)-6-[(E)-2,3-dimethylpent-2-enylidene]-N-methyl-4-[(1Z,3E)-2-methyl-1-methylsulfanylhexa-1,3-dienyl]-2-propylcyclohexa-2,4-dien-1-imine
SMILESCC/C=C/C(C)=C(\SC)C1=CC(=C/C(C)=C(\C)CC)/C(=N/C)C(CCC)=C1
InChIInChI=1S/C25H37NS/c1-9-12-14-19(5)25(27-8)23-16-21(13-10-2)24(26-7)22(17-23)15-20(6)18(4)11-3/h12,14-17H,9-11,13H2,1-8H3/b14-12+,20-18+,22-15-,25-19-,26-24+
InChIKeyBEMHXJNUVAFECF-IDXYFASGSA-N
MW383.65 g/mol
LogP8.00
Rot. Bonds8

About (6Z)-6-[(E)-2,3-dimethylpent-2-enylidene]-N-methyl-4-[(1Z,3E)-2-methyl-1-methylsulfanylhexa-1,3-dienyl]-2-propylcyclohexa-2,4-dien-1-imine

(6Z)-6-[(E)-2,3-dimethylpent-2-enylidene]-N-methyl-4-[(1Z,3E)-2-methyl-1-methylsulfanylhexa-1,3-dienyl]-2-propylcyclohexa-2,4-dien-1-imine (PubChem CID 146488241) has the molecular formula C25H37NS and a molecular weight of 383.65 g/mol. Its IUPAC name is (6Z)-6-[(E)-2,3-dimethylpent-2-enylidene]-N-methyl-4-[(1Z,3E)-2-methyl-1-methylsulfanylhexa-1,3-dienyl]-2-propylcyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(6Z)-6-[(E)-2,3-dimethylpent-2-enylidene]-N-methyl-4-[(1Z,3E)-2-methyl-1-methylsulfanylhexa-1,3-dienyl]-2-propylcyclohexa-2,4-dien-1-imine
PubChem CID146488241
Molecular FormulaC25H37NS
Molecular Weight383.65 g/mol
Exact Mass383.26
IUPAC Name(6Z)-6-[(E)-2,3-dimethylpent-2-enylidene]-N-methyl-4-[(1Z,3E)-2-methyl-1-methylsulfanylhexa-1,3-dienyl]-2-propylcyclohexa-2,4-dien-1-imine
SMILESCC/C=C/C(C)=C(\SC)C1=CC(=C/C(C)=C(\C)CC)/C(=N/C)C(CCC)=C1
InChIInChI=1S/C25H37NS/c1-9-12-14-19(5)25(27-8)23-16-21(13-10-2)24(26-7)22(17-23)15-20(6)18(4)11-3/h12,14-17H,9-11,13H2,1-8H3/b14-12+,20-18+,22-15-,25-19-,26-24+
InChIKeyBEMHXJNUVAFECF-IDXYFASGSA-N
XLogP8.00
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.65
LogP ≤ 58.00
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 (6Z)-6-[(E)-2,3-dimethylpent-2-enylidene]-N-methyl-4-[(1Z,3E)-2-methyl-1-methylsulfanylhexa-1,3-dienyl]-2-propylcyclohexa-2,4-dien-1-imine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6Z)-6-[(E)-2,3-dimethylpent-2-enylidene]-N-methyl-4-[(1Z,3E)-2-methyl-1-methylsulfanylhexa-1,3-dienyl]-2-propylcyclohexa-2,4-dien-1-imine?
The IUPAC name of (6Z)-6-[(E)-2,3-dimethylpent-2-enylidene]-N-methyl-4-[(1Z,3E)-2-methyl-1-methylsulfanylhexa-1,3-dienyl]-2-propylcyclohexa-2,4-dien-1-imine (CID 146488241) is (6Z)-6-[(E)-2,3-dimethylpent-2-enylidene]-N-methyl-4-[(1Z,3E)-2-methyl-1-methylsulfanylhexa-1,3-dienyl]-2-propylcyclohexa-2,4-dien-1-imine.
What is the SMILES notation for (6Z)-6-[(E)-2,3-dimethylpent-2-enylidene]-N-methyl-4-[(1Z,3E)-2-methyl-1-methylsulfanylhexa-1,3-dienyl]-2-propylcyclohexa-2,4-dien-1-imine?
The canonical SMILES for (6Z)-6-[(E)-2,3-dimethylpent-2-enylidene]-N-methyl-4-[(1Z,3E)-2-methyl-1-methylsulfanylhexa-1,3-dienyl]-2-propylcyclohexa-2,4-dien-1-imine is CC/C=C/C(C)=C(\SC)C1=CC(=C/C(C)=C(\C)CC)/C(=N/C)C(CCC)=C1.
What is the InChIKey of (6Z)-6-[(E)-2,3-dimethylpent-2-enylidene]-N-methyl-4-[(1Z,3E)-2-methyl-1-methylsulfanylhexa-1,3-dienyl]-2-propylcyclohexa-2,4-dien-1-imine?
The InChIKey is BEMHXJNUVAFECF-IDXYFASGSA-N. The full InChI is InChI=1S/C25H37NS/c1-9-12-14-19(5)25(27-8)23-16-21(13-10-2)24(26-7)22(17-23)15-20(6)18(4)11-3/h12,14-17H,9-11,13H2,1-8H3/b14-12+,20-18+,22-15-,25-19-,26-24+.
What are the key properties of (6Z)-6-[(E)-2,3-dimethylpent-2-enylidene]-N-methyl-4-[(1Z,3E)-2-methyl-1-methylsulfanylhexa-1,3-dienyl]-2-propylcyclohexa-2,4-dien-1-imine?
(6Z)-6-[(E)-2,3-dimethylpent-2-enylidene]-N-methyl-4-[(1Z,3E)-2-methyl-1-methylsulfanylhexa-1,3-dienyl]-2-propylcyclohexa-2,4-dien-1-imine has a molecular weight of 383.65 g/mol, XLogP of 8.00, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-[(E)-2,3-dimethylpent-2-enylidene]-N-methyl-4-[(1Z,3E)-2-methyl-1-methylsulfanylhexa-1,3-dienyl]-2-propylcyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 146488241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).