(3Z,5Z)-octa-3,5-diene-1,8-diimine

C8H12N2 — CID 118901349

IUPAC(3Z,5Z)-octa-3,5-diene-1,8-diimine
SMILES[H]/N=C/C/C=C\C=C/C/C=N/[H]
InChIInChI=1S/C8H12N2/c9-7-5-3-1-2-4-6-8-10/h1-4,7-10H,5-6H2/b3-1-,4-2-,9-7+,10-8+
InChIKeyVZKIDSHAQAOABK-ACJGFMQPSA-N
MW136.20 g/mol
LogP2.18
Rot. Bonds5

About (3Z,5Z)-octa-3,5-diene-1,8-diimine

(3Z,5Z)-octa-3,5-diene-1,8-diimine (PubChem CID 118901349) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is (3Z,5Z)-octa-3,5-diene-1,8-diimine.

Molecular Properties

Compound Name(3Z,5Z)-octa-3,5-diene-1,8-diimine
PubChem CID118901349
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name(3Z,5Z)-octa-3,5-diene-1,8-diimine
SMILES[H]/N=C/C/C=C\C=C/C/C=N/[H]
InChIInChI=1S/C8H12N2/c9-7-5-3-1-2-4-6-8-10/h1-4,7-10H,5-6H2/b3-1-,4-2-,9-7+,10-8+
InChIKeyVZKIDSHAQAOABK-ACJGFMQPSA-N
XLogP2.18
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 52.18
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 (3Z,5Z)-octa-3,5-diene-1,8-diimine?
The IUPAC name of (3Z,5Z)-octa-3,5-diene-1,8-diimine (CID 118901349) is (3Z,5Z)-octa-3,5-diene-1,8-diimine.
What is the SMILES notation for (3Z,5Z)-octa-3,5-diene-1,8-diimine?
The canonical SMILES for (3Z,5Z)-octa-3,5-diene-1,8-diimine is [H]/N=C/C/C=C\C=C/C/C=N/[H].
What is the InChIKey of (3Z,5Z)-octa-3,5-diene-1,8-diimine?
The InChIKey is VZKIDSHAQAOABK-ACJGFMQPSA-N. The full InChI is InChI=1S/C8H12N2/c9-7-5-3-1-2-4-6-8-10/h1-4,7-10H,5-6H2/b3-1-,4-2-,9-7+,10-8+.
What are the key properties of (3Z,5Z)-octa-3,5-diene-1,8-diimine?
(3Z,5Z)-octa-3,5-diene-1,8-diimine has a molecular weight of 136.20 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-octa-3,5-diene-1,8-diimine is sourced from PubChem (CID 118901349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).