(2E,4E)-3-ethenyl-N,6-dimethylhepta-2,4,6-trien-1-imine

C11H15N — CID 138509594

IUPAC(2E,4E)-3-ethenyl-N,6-dimethylhepta-2,4,6-trien-1-imine
SMILESC=CC(/C=C\C(=C)C)=C\C=N\C
InChIInChI=1S/C11H15N/c1-5-11(8-9-12-4)7-6-10(2)3/h5-9H,1-2H2,3-4H3/b7-6+,11-8+,12-9+
InChIKeyOGQRGDZNOGTFBA-XQYGDOFQSA-N
MW161.25 g/mol
LogP2.93
Rot. Bonds4

About (2E,4E)-3-ethenyl-N,6-dimethylhepta-2,4,6-trien-1-imine

(2E,4E)-3-ethenyl-N,6-dimethylhepta-2,4,6-trien-1-imine (PubChem CID 138509594) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is (2E,4E)-3-ethenyl-N,6-dimethylhepta-2,4,6-trien-1-imine.

Molecular Properties

Compound Name(2E,4E)-3-ethenyl-N,6-dimethylhepta-2,4,6-trien-1-imine
PubChem CID138509594
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name(2E,4E)-3-ethenyl-N,6-dimethylhepta-2,4,6-trien-1-imine
SMILESC=CC(/C=C\C(=C)C)=C\C=N\C
InChIInChI=1S/C11H15N/c1-5-11(8-9-12-4)7-6-10(2)3/h5-9H,1-2H2,3-4H3/b7-6+,11-8+,12-9+
InChIKeyOGQRGDZNOGTFBA-XQYGDOFQSA-N
XLogP2.93
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-3-ethenyl-N,6-dimethylhepta-2,4,6-trien-1-imine?
The IUPAC name of (2E,4E)-3-ethenyl-N,6-dimethylhepta-2,4,6-trien-1-imine (CID 138509594) is (2E,4E)-3-ethenyl-N,6-dimethylhepta-2,4,6-trien-1-imine.
What is the SMILES notation for (2E,4E)-3-ethenyl-N,6-dimethylhepta-2,4,6-trien-1-imine?
The canonical SMILES for (2E,4E)-3-ethenyl-N,6-dimethylhepta-2,4,6-trien-1-imine is C=CC(/C=C\C(=C)C)=C\C=N\C.
What is the InChIKey of (2E,4E)-3-ethenyl-N,6-dimethylhepta-2,4,6-trien-1-imine?
The InChIKey is OGQRGDZNOGTFBA-XQYGDOFQSA-N. The full InChI is InChI=1S/C11H15N/c1-5-11(8-9-12-4)7-6-10(2)3/h5-9H,1-2H2,3-4H3/b7-6+,11-8+,12-9+.
What are the key properties of (2E,4E)-3-ethenyl-N,6-dimethylhepta-2,4,6-trien-1-imine?
(2E,4E)-3-ethenyl-N,6-dimethylhepta-2,4,6-trien-1-imine has a molecular weight of 161.25 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-3-ethenyl-N,6-dimethylhepta-2,4,6-trien-1-imine is sourced from PubChem (CID 138509594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).