(5Z)-N,2,3-trimethylocta-2,5,7-trien-4-imine

C11H17N — CID 123366902

IUPAC(5Z)-N,2,3-trimethylocta-2,5,7-trien-4-imine
SMILESC=C/C=C\C(=N/C)C(C)=C(C)C
InChIInChI=1S/C11H17N/c1-6-7-8-11(12-5)10(4)9(2)3/h6-8H,1H2,2-5H3/b8-7-,12-11+
InChIKeyXCJONHNQCMFOIR-OFALOCIGSA-N
MW163.26 g/mol
LogP3.16
Rot. Bonds3

About (5Z)-N,2,3-trimethylocta-2,5,7-trien-4-imine

(5Z)-N,2,3-trimethylocta-2,5,7-trien-4-imine (PubChem CID 123366902) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is (5Z)-N,2,3-trimethylocta-2,5,7-trien-4-imine.

Molecular Properties

Compound Name(5Z)-N,2,3-trimethylocta-2,5,7-trien-4-imine
PubChem CID123366902
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name(5Z)-N,2,3-trimethylocta-2,5,7-trien-4-imine
SMILESC=C/C=C\C(=N/C)C(C)=C(C)C
InChIInChI=1S/C11H17N/c1-6-7-8-11(12-5)10(4)9(2)3/h6-8H,1H2,2-5H3/b8-7-,12-11+
InChIKeyXCJONHNQCMFOIR-OFALOCIGSA-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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (5Z)-N,2,3-trimethylocta-2,5,7-trien-4-imine?
The IUPAC name of (5Z)-N,2,3-trimethylocta-2,5,7-trien-4-imine (CID 123366902) is (5Z)-N,2,3-trimethylocta-2,5,7-trien-4-imine.
What is the SMILES notation for (5Z)-N,2,3-trimethylocta-2,5,7-trien-4-imine?
The canonical SMILES for (5Z)-N,2,3-trimethylocta-2,5,7-trien-4-imine is C=C/C=C\C(=N/C)C(C)=C(C)C.
What is the InChIKey of (5Z)-N,2,3-trimethylocta-2,5,7-trien-4-imine?
The InChIKey is XCJONHNQCMFOIR-OFALOCIGSA-N. The full InChI is InChI=1S/C11H17N/c1-6-7-8-11(12-5)10(4)9(2)3/h6-8H,1H2,2-5H3/b8-7-,12-11+.
What are the key properties of (5Z)-N,2,3-trimethylocta-2,5,7-trien-4-imine?
(5Z)-N,2,3-trimethylocta-2,5,7-trien-4-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 (5Z)-N,2,3-trimethylocta-2,5,7-trien-4-imine is sourced from PubChem (CID 123366902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).