oct-7-ene-1,6-diimine

C8H14N2 — CID 140575832

IUPACoct-7-ene-1,6-diimine
SMILES[H]/N=C(\C=C)CCCC/C=N/[H]
InChIInChI=1S/C8H14N2/c1-2-8(10)6-4-3-5-7-9/h2,7,9-10H,1,3-6H2/b9-7+,10-8+
InChIKeyQROKZUCNCUCGTD-FIFLTTCUSA-N
MW138.21 g/mol
LogP2.40
Rot. Bonds6

About oct-7-ene-1,6-diimine

oct-7-ene-1,6-diimine (PubChem CID 140575832) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is oct-7-ene-1,6-diimine.

Molecular Properties

Compound Nameoct-7-ene-1,6-diimine
PubChem CID140575832
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Nameoct-7-ene-1,6-diimine
SMILES[H]/N=C(\C=C)CCCC/C=N/[H]
InChIInChI=1S/C8H14N2/c1-2-8(10)6-4-3-5-7-9/h2,7,9-10H,1,3-6H2/b9-7+,10-8+
InChIKeyQROKZUCNCUCGTD-FIFLTTCUSA-N
XLogP2.40
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of oct-7-ene-1,6-diimine?
The IUPAC name of oct-7-ene-1,6-diimine (CID 140575832) is oct-7-ene-1,6-diimine.
What is the SMILES notation for oct-7-ene-1,6-diimine?
The canonical SMILES for oct-7-ene-1,6-diimine is [H]/N=C(\C=C)CCCC/C=N/[H].
What is the InChIKey of oct-7-ene-1,6-diimine?
The InChIKey is QROKZUCNCUCGTD-FIFLTTCUSA-N. The full InChI is InChI=1S/C8H14N2/c1-2-8(10)6-4-3-5-7-9/h2,7,9-10H,1,3-6H2/b9-7+,10-8+.
What are the key properties of oct-7-ene-1,6-diimine?
oct-7-ene-1,6-diimine has a molecular weight of 138.21 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oct-7-ene-1,6-diimine is sourced from PubChem (CID 140575832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).