(2Z,4E)-2,5-dimethylocta-2,4,7-triene-1,6-diimine

C10H14N2 — CID 156548781

IUPAC(2Z,4E)-2,5-dimethylocta-2,4,7-triene-1,6-diimine
SMILES[H]/N=C/C(C)=C\C=C(C)/C(C=C)=N/[H]
InChIInChI=1S/C10H14N2/c1-4-10(12)9(3)6-5-8(2)7-11/h4-7,11-12H,1H2,2-3H3/b8-5-,9-6+,11-7+,12-10+
InChIKeyPPCYARVJZXINSD-FNROMVGHSA-N
MW162.24 g/mol
LogP2.73
Rot. Bonds4

About (2Z,4E)-2,5-dimethylocta-2,4,7-triene-1,6-diimine

(2Z,4E)-2,5-dimethylocta-2,4,7-triene-1,6-diimine (PubChem CID 156548781) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is (2Z,4E)-2,5-dimethylocta-2,4,7-triene-1,6-diimine.

Molecular Properties

Compound Name(2Z,4E)-2,5-dimethylocta-2,4,7-triene-1,6-diimine
PubChem CID156548781
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name(2Z,4E)-2,5-dimethylocta-2,4,7-triene-1,6-diimine
SMILES[H]/N=C/C(C)=C\C=C(C)/C(C=C)=N/[H]
InChIInChI=1S/C10H14N2/c1-4-10(12)9(3)6-5-8(2)7-11/h4-7,11-12H,1H2,2-3H3/b8-5-,9-6+,11-7+,12-10+
InChIKeyPPCYARVJZXINSD-FNROMVGHSA-N
XLogP2.73
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (2Z,4E)-2,5-dimethylocta-2,4,7-triene-1,6-diimine?
The IUPAC name of (2Z,4E)-2,5-dimethylocta-2,4,7-triene-1,6-diimine (CID 156548781) is (2Z,4E)-2,5-dimethylocta-2,4,7-triene-1,6-diimine.
What is the SMILES notation for (2Z,4E)-2,5-dimethylocta-2,4,7-triene-1,6-diimine?
The canonical SMILES for (2Z,4E)-2,5-dimethylocta-2,4,7-triene-1,6-diimine is [H]/N=C/C(C)=C\C=C(C)/C(C=C)=N/[H].
What is the InChIKey of (2Z,4E)-2,5-dimethylocta-2,4,7-triene-1,6-diimine?
The InChIKey is PPCYARVJZXINSD-FNROMVGHSA-N. The full InChI is InChI=1S/C10H14N2/c1-4-10(12)9(3)6-5-8(2)7-11/h4-7,11-12H,1H2,2-3H3/b8-5-,9-6+,11-7+,12-10+.
What are the key properties of (2Z,4E)-2,5-dimethylocta-2,4,7-triene-1,6-diimine?
(2Z,4E)-2,5-dimethylocta-2,4,7-triene-1,6-diimine has a molecular weight of 162.24 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-2,5-dimethylocta-2,4,7-triene-1,6-diimine is sourced from PubChem (CID 156548781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).