octane-1,5-diimine

C8H16N2 — CID 129214712

IUPACoctane-1,5-diimine
SMILES[H]/N=C/CCC/C(CCC)=N/[H]
InChIInChI=1S/C8H16N2/c1-2-5-8(10)6-3-4-7-9/h7,9-10H,2-6H2,1H3/b9-7+,10-8+
InChIKeyLYQAWQNYRWBDIZ-FIFLTTCUSA-N
MW140.23 g/mol
LogP2.63
Rot. Bonds6

About octane-1,5-diimine

octane-1,5-diimine (PubChem CID 129214712) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is octane-1,5-diimine.

Molecular Properties

Compound Nameoctane-1,5-diimine
PubChem CID129214712
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Nameoctane-1,5-diimine
SMILES[H]/N=C/CCC/C(CCC)=N/[H]
InChIInChI=1S/C8H16N2/c1-2-5-8(10)6-3-4-7-9/h7,9-10H,2-6H2,1H3/b9-7+,10-8+
InChIKeyLYQAWQNYRWBDIZ-FIFLTTCUSA-N
XLogP2.63
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.63
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 octane-1,5-diimine?
The IUPAC name of octane-1,5-diimine (CID 129214712) is octane-1,5-diimine.
What is the SMILES notation for octane-1,5-diimine?
The canonical SMILES for octane-1,5-diimine is [H]/N=C/CCC/C(CCC)=N/[H].
What is the InChIKey of octane-1,5-diimine?
The InChIKey is LYQAWQNYRWBDIZ-FIFLTTCUSA-N. The full InChI is InChI=1S/C8H16N2/c1-2-5-8(10)6-3-4-7-9/h7,9-10H,2-6H2,1H3/b9-7+,10-8+.
What are the key properties of octane-1,5-diimine?
octane-1,5-diimine has a molecular weight of 140.23 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for octane-1,5-diimine is sourced from PubChem (CID 129214712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).