(2Z,4E,7Z)-6-N-ethyl-2,5-dimethyldeca-2,4,7-triene-1,6-diimine

C14H22N2 — CID 143882553

IUPAC(2Z,4E,7Z)-6-N-ethyl-2,5-dimethyldeca-2,4,7-triene-1,6-diimine
SMILES[H]/N=C/C(C)=C\C=C(C)\C(/C=C\CC)=N\CC
InChIInChI=1S/C14H22N2/c1-5-7-8-14(16-6-2)13(4)10-9-12(3)11-15/h7-11,15H,5-6H2,1-4H3/b8-7-,12-9-,13-10+,15-11+,16-14+
InChIKeyWLRRGKUCMOPPGO-GUOYQBPRSA-N
MW218.34 g/mol
LogP3.96
Rot. Bonds6

About (2Z,4E,7Z)-6-N-ethyl-2,5-dimethyldeca-2,4,7-triene-1,6-diimine

(2Z,4E,7Z)-6-N-ethyl-2,5-dimethyldeca-2,4,7-triene-1,6-diimine (PubChem CID 143882553) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is (2Z,4E,7Z)-6-N-ethyl-2,5-dimethyldeca-2,4,7-triene-1,6-diimine.

Molecular Properties

Compound Name(2Z,4E,7Z)-6-N-ethyl-2,5-dimethyldeca-2,4,7-triene-1,6-diimine
PubChem CID143882553
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name(2Z,4E,7Z)-6-N-ethyl-2,5-dimethyldeca-2,4,7-triene-1,6-diimine
SMILES[H]/N=C/C(C)=C\C=C(C)\C(/C=C\CC)=N\CC
InChIInChI=1S/C14H22N2/c1-5-7-8-14(16-6-2)13(4)10-9-12(3)11-15/h7-11,15H,5-6H2,1-4H3/b8-7-,12-9-,13-10+,15-11+,16-14+
InChIKeyWLRRGKUCMOPPGO-GUOYQBPRSA-N
XLogP3.96
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.96
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2Z,4E,7Z)-6-N-ethyl-2,5-dimethyldeca-2,4,7-triene-1,6-diimine?
The IUPAC name of (2Z,4E,7Z)-6-N-ethyl-2,5-dimethyldeca-2,4,7-triene-1,6-diimine (CID 143882553) is (2Z,4E,7Z)-6-N-ethyl-2,5-dimethyldeca-2,4,7-triene-1,6-diimine.
What is the SMILES notation for (2Z,4E,7Z)-6-N-ethyl-2,5-dimethyldeca-2,4,7-triene-1,6-diimine?
The canonical SMILES for (2Z,4E,7Z)-6-N-ethyl-2,5-dimethyldeca-2,4,7-triene-1,6-diimine is [H]/N=C/C(C)=C\C=C(C)\C(/C=C\CC)=N\CC.
What is the InChIKey of (2Z,4E,7Z)-6-N-ethyl-2,5-dimethyldeca-2,4,7-triene-1,6-diimine?
The InChIKey is WLRRGKUCMOPPGO-GUOYQBPRSA-N. The full InChI is InChI=1S/C14H22N2/c1-5-7-8-14(16-6-2)13(4)10-9-12(3)11-15/h7-11,15H,5-6H2,1-4H3/b8-7-,12-9-,13-10+,15-11+,16-14+.
What are the key properties of (2Z,4E,7Z)-6-N-ethyl-2,5-dimethyldeca-2,4,7-triene-1,6-diimine?
(2Z,4E,7Z)-6-N-ethyl-2,5-dimethyldeca-2,4,7-triene-1,6-diimine has a molecular weight of 218.34 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E,7Z)-6-N-ethyl-2,5-dimethyldeca-2,4,7-triene-1,6-diimine is sourced from PubChem (CID 143882553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).