(2E,4E,6Z)-N,3,4-trimethylocta-2,4,6-trien-1-imine

C11H17N — CID 166983281

IUPAC(2E,4E,6Z)-N,3,4-trimethylocta-2,4,6-trien-1-imine
SMILESC/C=C\C=C(C)\C(C)=C\C=N\C
InChIInChI=1S/C11H17N/c1-5-6-7-10(2)11(3)8-9-12-4/h5-9H,1-4H3/b6-5-,10-7+,11-8+,12-9+
InChIKeyJYGBVHOXZTVTIA-YMPUYKEXSA-N
MW163.26 g/mol
LogP3.16
Rot. Bonds3

About (2E,4E,6Z)-N,3,4-trimethylocta-2,4,6-trien-1-imine

(2E,4E,6Z)-N,3,4-trimethylocta-2,4,6-trien-1-imine (PubChem CID 166983281) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is (2E,4E,6Z)-N,3,4-trimethylocta-2,4,6-trien-1-imine.

Molecular Properties

Compound Name(2E,4E,6Z)-N,3,4-trimethylocta-2,4,6-trien-1-imine
PubChem CID166983281
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name(2E,4E,6Z)-N,3,4-trimethylocta-2,4,6-trien-1-imine
SMILESC/C=C\C=C(C)\C(C)=C\C=N\C
InChIInChI=1S/C11H17N/c1-5-6-7-10(2)11(3)8-9-12-4/h5-9H,1-4H3/b6-5-,10-7+,11-8+,12-9+
InChIKeyJYGBVHOXZTVTIA-YMPUYKEXSA-N
XLogP3.16
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 53.16
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,6Z)-N,3,4-trimethylocta-2,4,6-trien-1-imine?
The IUPAC name of (2E,4E,6Z)-N,3,4-trimethylocta-2,4,6-trien-1-imine (CID 166983281) is (2E,4E,6Z)-N,3,4-trimethylocta-2,4,6-trien-1-imine.
What is the SMILES notation for (2E,4E,6Z)-N,3,4-trimethylocta-2,4,6-trien-1-imine?
The canonical SMILES for (2E,4E,6Z)-N,3,4-trimethylocta-2,4,6-trien-1-imine is C/C=C\C=C(C)\C(C)=C\C=N\C.
What is the InChIKey of (2E,4E,6Z)-N,3,4-trimethylocta-2,4,6-trien-1-imine?
The InChIKey is JYGBVHOXZTVTIA-YMPUYKEXSA-N. The full InChI is InChI=1S/C11H17N/c1-5-6-7-10(2)11(3)8-9-12-4/h5-9H,1-4H3/b6-5-,10-7+,11-8+,12-9+.
What are the key properties of (2E,4E,6Z)-N,3,4-trimethylocta-2,4,6-trien-1-imine?
(2E,4E,6Z)-N,3,4-trimethylocta-2,4,6-trien-1-imine has a molecular weight of 163.26 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6Z)-N,3,4-trimethylocta-2,4,6-trien-1-imine is sourced from PubChem (CID 166983281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).