(2Z,5Z,8Z)-N,N'-dimethyl-4,7-dimethylidenedeca-2,5,8-triene-1,10-diimine

C14H18N2 — CID 131966696

IUPAC(2Z,5Z,8Z)-N,N'-dimethyl-4,7-dimethylidenedeca-2,5,8-triene-1,10-diimine
SMILESC=C(/C=C\C=N\C)/C=C\C(=C)/C=C\C=N\C
InChIInChI=1S/C14H18N2/c1-13(7-5-11-15-3)9-10-14(2)8-6-12-16-4/h5-12H,1-2H2,3-4H3/b7-5-,8-6-,10-9-,15-11+,16-12+
InChIKeyKWWIXTBCHFFMMG-GPNWZCJKSA-N
MW214.31 g/mol
LogP3.17
Rot. Bonds6

About (2Z,5Z,8Z)-N,N'-dimethyl-4,7-dimethylidenedeca-2,5,8-triene-1,10-diimine

(2Z,5Z,8Z)-N,N'-dimethyl-4,7-dimethylidenedeca-2,5,8-triene-1,10-diimine (PubChem CID 131966696) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is (2Z,5Z,8Z)-N,N'-dimethyl-4,7-dimethylidenedeca-2,5,8-triene-1,10-diimine.

Molecular Properties

Compound Name(2Z,5Z,8Z)-N,N'-dimethyl-4,7-dimethylidenedeca-2,5,8-triene-1,10-diimine
PubChem CID131966696
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name(2Z,5Z,8Z)-N,N'-dimethyl-4,7-dimethylidenedeca-2,5,8-triene-1,10-diimine
SMILESC=C(/C=C\C=N\C)/C=C\C(=C)/C=C\C=N\C
InChIInChI=1S/C14H18N2/c1-13(7-5-11-15-3)9-10-14(2)8-6-12-16-4/h5-12H,1-2H2,3-4H3/b7-5-,8-6-,10-9-,15-11+,16-12+
InChIKeyKWWIXTBCHFFMMG-GPNWZCJKSA-N
XLogP3.17
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.17
H-Bond Donors ≤ 50
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 (2Z,5Z,8Z)-N,N'-dimethyl-4,7-dimethylidenedeca-2,5,8-triene-1,10-diimine?
The IUPAC name of (2Z,5Z,8Z)-N,N'-dimethyl-4,7-dimethylidenedeca-2,5,8-triene-1,10-diimine (CID 131966696) is (2Z,5Z,8Z)-N,N'-dimethyl-4,7-dimethylidenedeca-2,5,8-triene-1,10-diimine.
What is the SMILES notation for (2Z,5Z,8Z)-N,N'-dimethyl-4,7-dimethylidenedeca-2,5,8-triene-1,10-diimine?
The canonical SMILES for (2Z,5Z,8Z)-N,N'-dimethyl-4,7-dimethylidenedeca-2,5,8-triene-1,10-diimine is C=C(/C=C\C=N\C)/C=C\C(=C)/C=C\C=N\C.
What is the InChIKey of (2Z,5Z,8Z)-N,N'-dimethyl-4,7-dimethylidenedeca-2,5,8-triene-1,10-diimine?
The InChIKey is KWWIXTBCHFFMMG-GPNWZCJKSA-N. The full InChI is InChI=1S/C14H18N2/c1-13(7-5-11-15-3)9-10-14(2)8-6-12-16-4/h5-12H,1-2H2,3-4H3/b7-5-,8-6-,10-9-,15-11+,16-12+.
What are the key properties of (2Z,5Z,8Z)-N,N'-dimethyl-4,7-dimethylidenedeca-2,5,8-triene-1,10-diimine?
(2Z,5Z,8Z)-N,N'-dimethyl-4,7-dimethylidenedeca-2,5,8-triene-1,10-diimine has a molecular weight of 214.31 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z,8Z)-N,N'-dimethyl-4,7-dimethylidenedeca-2,5,8-triene-1,10-diimine is sourced from PubChem (CID 131966696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).