(2Z,6Z,8Z)-8-ethyldeca-2,6,8-triene-4,5-diimine

C12H18N2 — CID 156548687

IUPAC(2Z,6Z,8Z)-8-ethyldeca-2,6,8-triene-4,5-diimine
SMILES[H]N=C(/C=C\C(=C/C)CC)C(/C=C\C)=N/[H]
InChIInChI=1S/C12H18N2/c1-4-7-11(13)12(14)9-8-10(5-2)6-3/h4-5,7-9,13-14H,6H2,1-3H3/b7-4-,9-8-,10-5-,13-11+,14-12-
InChIKeyBXHDPYHCPBZZNU-ORKPPJCKSA-N
MW190.29 g/mol
LogP3.51
Rot. Bonds5

About (2Z,6Z,8Z)-8-ethyldeca-2,6,8-triene-4,5-diimine

(2Z,6Z,8Z)-8-ethyldeca-2,6,8-triene-4,5-diimine (PubChem CID 156548687) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is (2Z,6Z,8Z)-8-ethyldeca-2,6,8-triene-4,5-diimine.

Molecular Properties

Compound Name(2Z,6Z,8Z)-8-ethyldeca-2,6,8-triene-4,5-diimine
PubChem CID156548687
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name(2Z,6Z,8Z)-8-ethyldeca-2,6,8-triene-4,5-diimine
SMILES[H]N=C(/C=C\C(=C/C)CC)C(/C=C\C)=N/[H]
InChIInChI=1S/C12H18N2/c1-4-7-11(13)12(14)9-8-10(5-2)6-3/h4-5,7-9,13-14H,6H2,1-3H3/b7-4-,9-8-,10-5-,13-11+,14-12-
InChIKeyBXHDPYHCPBZZNU-ORKPPJCKSA-N
XLogP3.51
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'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 (2Z,6Z,8Z)-8-ethyldeca-2,6,8-triene-4,5-diimine?
The IUPAC name of (2Z,6Z,8Z)-8-ethyldeca-2,6,8-triene-4,5-diimine (CID 156548687) is (2Z,6Z,8Z)-8-ethyldeca-2,6,8-triene-4,5-diimine.
What is the SMILES notation for (2Z,6Z,8Z)-8-ethyldeca-2,6,8-triene-4,5-diimine?
The canonical SMILES for (2Z,6Z,8Z)-8-ethyldeca-2,6,8-triene-4,5-diimine is [H]N=C(/C=C\C(=C/C)CC)C(/C=C\C)=N/[H].
What is the InChIKey of (2Z,6Z,8Z)-8-ethyldeca-2,6,8-triene-4,5-diimine?
The InChIKey is BXHDPYHCPBZZNU-ORKPPJCKSA-N. The full InChI is InChI=1S/C12H18N2/c1-4-7-11(13)12(14)9-8-10(5-2)6-3/h4-5,7-9,13-14H,6H2,1-3H3/b7-4-,9-8-,10-5-,13-11+,14-12-.
What are the key properties of (2Z,6Z,8Z)-8-ethyldeca-2,6,8-triene-4,5-diimine?
(2Z,6Z,8Z)-8-ethyldeca-2,6,8-triene-4,5-diimine has a molecular weight of 190.29 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,6Z,8Z)-8-ethyldeca-2,6,8-triene-4,5-diimine is sourced from PubChem (CID 156548687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).