(2E,4Z)-2,6-dimethylocta-2,4,6,7-tetraen-1-imine

C10H13N — CID 89269458

IUPAC(2E,4Z)-2,6-dimethylocta-2,4,6,7-tetraen-1-imine
SMILES[H]/N=C/C(C)=C/C=C\C(C)=C=C
InChIInChI=1S/C10H13N/c1-4-9(2)6-5-7-10(3)8-11/h5-8,11H,1H2,2-3H3/b6-5-,10-7+,11-8+
InChIKeyZAPNWUSLWUPOQK-HKAXXRRESA-N
MW147.22 g/mol
LogP2.87
Rot. Bonds3

About (2E,4Z)-2,6-dimethylocta-2,4,6,7-tetraen-1-imine

(2E,4Z)-2,6-dimethylocta-2,4,6,7-tetraen-1-imine (PubChem CID 89269458) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is (2E,4Z)-2,6-dimethylocta-2,4,6,7-tetraen-1-imine.

Molecular Properties

Compound Name(2E,4Z)-2,6-dimethylocta-2,4,6,7-tetraen-1-imine
PubChem CID89269458
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name(2E,4Z)-2,6-dimethylocta-2,4,6,7-tetraen-1-imine
SMILES[H]/N=C/C(C)=C/C=C\C(C)=C=C
InChIInChI=1S/C10H13N/c1-4-9(2)6-5-7-10(3)8-11/h5-8,11H,1H2,2-3H3/b6-5-,10-7+,11-8+
InChIKeyZAPNWUSLWUPOQK-HKAXXRRESA-N
XLogP2.87
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.87
H-Bond Donors ≤ 51
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,4Z)-2,6-dimethylocta-2,4,6,7-tetraen-1-imine?
The IUPAC name of (2E,4Z)-2,6-dimethylocta-2,4,6,7-tetraen-1-imine (CID 89269458) is (2E,4Z)-2,6-dimethylocta-2,4,6,7-tetraen-1-imine.
What is the SMILES notation for (2E,4Z)-2,6-dimethylocta-2,4,6,7-tetraen-1-imine?
The canonical SMILES for (2E,4Z)-2,6-dimethylocta-2,4,6,7-tetraen-1-imine is [H]/N=C/C(C)=C/C=C\C(C)=C=C.
What is the InChIKey of (2E,4Z)-2,6-dimethylocta-2,4,6,7-tetraen-1-imine?
The InChIKey is ZAPNWUSLWUPOQK-HKAXXRRESA-N. The full InChI is InChI=1S/C10H13N/c1-4-9(2)6-5-7-10(3)8-11/h5-8,11H,1H2,2-3H3/b6-5-,10-7+,11-8+.
What are the key properties of (2E,4Z)-2,6-dimethylocta-2,4,6,7-tetraen-1-imine?
(2E,4Z)-2,6-dimethylocta-2,4,6,7-tetraen-1-imine has a molecular weight of 147.22 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-2,6-dimethylocta-2,4,6,7-tetraen-1-imine is sourced from PubChem (CID 89269458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).