(Z)-6-N,3,4-trimethylidenehept-5-ene-2,6-diimine

C10H14N2 — CID 131966680

IUPAC(Z)-6-N,3,4-trimethylidenehept-5-ene-2,6-diimine
SMILES[H]/N=C(\C)C(=C)C(=C)/C=C(/C)N=C
InChIInChI=1S/C10H14N2/c1-7(6-8(2)12-5)9(3)10(4)11/h6,11H,1,3,5H2,2,4H3/b8-6-,11-10+
InChIKeyPRQLIAFOPFXYHJ-FEVLKHHISA-N
MW162.24 g/mol
LogP2.74
Rot. Bonds4

About (Z)-6-N,3,4-trimethylidenehept-5-ene-2,6-diimine

(Z)-6-N,3,4-trimethylidenehept-5-ene-2,6-diimine (PubChem CID 131966680) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is (Z)-6-N,3,4-trimethylidenehept-5-ene-2,6-diimine.

Molecular Properties

Compound Name(Z)-6-N,3,4-trimethylidenehept-5-ene-2,6-diimine
PubChem CID131966680
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name(Z)-6-N,3,4-trimethylidenehept-5-ene-2,6-diimine
SMILES[H]/N=C(\C)C(=C)C(=C)/C=C(/C)N=C
InChIInChI=1S/C10H14N2/c1-7(6-8(2)12-5)9(3)10(4)11/h6,11H,1,3,5H2,2,4H3/b8-6-,11-10+
InChIKeyPRQLIAFOPFXYHJ-FEVLKHHISA-N
XLogP2.74
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.74
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 (Z)-6-N,3,4-trimethylidenehept-5-ene-2,6-diimine?
The IUPAC name of (Z)-6-N,3,4-trimethylidenehept-5-ene-2,6-diimine (CID 131966680) is (Z)-6-N,3,4-trimethylidenehept-5-ene-2,6-diimine.
What is the SMILES notation for (Z)-6-N,3,4-trimethylidenehept-5-ene-2,6-diimine?
The canonical SMILES for (Z)-6-N,3,4-trimethylidenehept-5-ene-2,6-diimine is [H]/N=C(\C)C(=C)C(=C)/C=C(/C)N=C.
What is the InChIKey of (Z)-6-N,3,4-trimethylidenehept-5-ene-2,6-diimine?
The InChIKey is PRQLIAFOPFXYHJ-FEVLKHHISA-N. The full InChI is InChI=1S/C10H14N2/c1-7(6-8(2)12-5)9(3)10(4)11/h6,11H,1,3,5H2,2,4H3/b8-6-,11-10+.
What are the key properties of (Z)-6-N,3,4-trimethylidenehept-5-ene-2,6-diimine?
(Z)-6-N,3,4-trimethylidenehept-5-ene-2,6-diimine has a molecular weight of 162.24 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-N,3,4-trimethylidenehept-5-ene-2,6-diimine is sourced from PubChem (CID 131966680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).