(5Z)-4-N,3-dimethylocta-5,7-diene-2,4-diimine

C10H16N2 — CID 123449033

IUPAC(5Z)-4-N,3-dimethylocta-5,7-diene-2,4-diimine
SMILES[H]/N=C(\C)C(C)C(/C=C\C=C)=N/C
InChIInChI=1S/C10H16N2/c1-5-6-7-10(12-4)8(2)9(3)11/h5-8,11H,1H2,2-4H3/b7-6-,11-9+,12-10+
InChIKeyKGRZAGQAHWPXIV-NPDWPYARSA-N
MW164.25 g/mol
LogP2.48
Rot. Bonds4

About (5Z)-4-N,3-dimethylocta-5,7-diene-2,4-diimine

(5Z)-4-N,3-dimethylocta-5,7-diene-2,4-diimine (PubChem CID 123449033) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is (5Z)-4-N,3-dimethylocta-5,7-diene-2,4-diimine.

Molecular Properties

Compound Name(5Z)-4-N,3-dimethylocta-5,7-diene-2,4-diimine
PubChem CID123449033
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name(5Z)-4-N,3-dimethylocta-5,7-diene-2,4-diimine
SMILES[H]/N=C(\C)C(C)C(/C=C\C=C)=N/C
InChIInChI=1S/C10H16N2/c1-5-6-7-10(12-4)8(2)9(3)11/h5-8,11H,1H2,2-4H3/b7-6-,11-9+,12-10+
InChIKeyKGRZAGQAHWPXIV-NPDWPYARSA-N
XLogP2.48
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.48
H-Bond Donors ≤ 51
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 (5Z)-4-N,3-dimethylocta-5,7-diene-2,4-diimine?
The IUPAC name of (5Z)-4-N,3-dimethylocta-5,7-diene-2,4-diimine (CID 123449033) is (5Z)-4-N,3-dimethylocta-5,7-diene-2,4-diimine.
What is the SMILES notation for (5Z)-4-N,3-dimethylocta-5,7-diene-2,4-diimine?
The canonical SMILES for (5Z)-4-N,3-dimethylocta-5,7-diene-2,4-diimine is [H]/N=C(\C)C(C)C(/C=C\C=C)=N/C.
What is the InChIKey of (5Z)-4-N,3-dimethylocta-5,7-diene-2,4-diimine?
The InChIKey is KGRZAGQAHWPXIV-NPDWPYARSA-N. The full InChI is InChI=1S/C10H16N2/c1-5-6-7-10(12-4)8(2)9(3)11/h5-8,11H,1H2,2-4H3/b7-6-,11-9+,12-10+.
What are the key properties of (5Z)-4-N,3-dimethylocta-5,7-diene-2,4-diimine?
(5Z)-4-N,3-dimethylocta-5,7-diene-2,4-diimine has a molecular weight of 164.25 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-4-N,3-dimethylocta-5,7-diene-2,4-diimine is sourced from PubChem (CID 123449033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).