(Z,3E)-3-ethylidene-1-N,2-N,5-trimethylnon-4-ene-1,2-diimine

C14H24N2 — CID 123138127

IUPAC(Z,3E)-3-ethylidene-1-N,2-N,5-trimethylnon-4-ene-1,2-diimine
SMILESC/C=C(\C=C(\C)CCCC)C(/C=N/C)=NC
InChIInChI=1S/C14H24N2/c1-6-8-9-12(3)10-13(7-2)14(16-5)11-15-4/h7,10-11H,6,8-9H2,1-5H3/b12-10-,13-7+,15-11+,16-14+
InChIKeyDQPAFSPFGOYAMF-ZZVAAIEKSA-N
MW220.36 g/mol
LogP3.84
Rot. Bonds6

About (Z,3E)-3-ethylidene-1-N,2-N,5-trimethylnon-4-ene-1,2-diimine

(Z,3E)-3-ethylidene-1-N,2-N,5-trimethylnon-4-ene-1,2-diimine (PubChem CID 123138127) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is (Z,3E)-3-ethylidene-1-N,2-N,5-trimethylnon-4-ene-1,2-diimine.

Molecular Properties

Compound Name(Z,3E)-3-ethylidene-1-N,2-N,5-trimethylnon-4-ene-1,2-diimine
PubChem CID123138127
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name(Z,3E)-3-ethylidene-1-N,2-N,5-trimethylnon-4-ene-1,2-diimine
SMILESC/C=C(\C=C(\C)CCCC)C(/C=N/C)=NC
InChIInChI=1S/C14H24N2/c1-6-8-9-12(3)10-13(7-2)14(16-5)11-15-4/h7,10-11H,6,8-9H2,1-5H3/b12-10-,13-7+,15-11+,16-14+
InChIKeyDQPAFSPFGOYAMF-ZZVAAIEKSA-N
XLogP3.84
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.84
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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Related Compounds

(E,2Z,3E)-5-(1,1-difluoroethyl)-2,3-di(ethylidene)-1-N-methylhept-4-ene-1,6-diimine
CID 143763245
1-N,2-N,3,6-tetramethylcyclohexa-3,5-diene-1,2-diimine
CID 20762110
1-cyclohexa-1,3-dien-1-yl-N-methylethanimine
CID 59809510
N-butyl-6-ethenylocta-5,7-dien-1-imine
CID 88589591
5-Butyl-6-methyl-2,3-dihydropyridine
CID 89109547
6,7-diethyl-4-methyl-4H-diazepine
CID 89204115
(3Z)-N-ethyl-3,5-dimethylhexa-3,5-dien-2-imine
CID 89321972
(Z)-N-methyl-3-prop-1-en-2-yloct-2-en-1-imine
CID 89322701
1-(5-ethyl-6-methylcyclohexa-1,5-dien-1-yl)-N-propylmethanimine
CID 89334781
1-N,2-N,3-trimethylcyclohexa-3,5-diene-1,2-diimine
CID 89378852
(Z)-N,3-dimethylhept-2-en-4-imine
CID 89441742
(2Z,4E,8Z,10Z)-5-methyldodeca-2,4,8,10-tetraene-1,7-diimine
CID 89546275

Frequently Asked Questions

What is the IUPAC name of (Z,3E)-3-ethylidene-1-N,2-N,5-trimethylnon-4-ene-1,2-diimine?
The IUPAC name of (Z,3E)-3-ethylidene-1-N,2-N,5-trimethylnon-4-ene-1,2-diimine (CID 123138127) is (Z,3E)-3-ethylidene-1-N,2-N,5-trimethylnon-4-ene-1,2-diimine.
What is the SMILES notation for (Z,3E)-3-ethylidene-1-N,2-N,5-trimethylnon-4-ene-1,2-diimine?
The canonical SMILES for (Z,3E)-3-ethylidene-1-N,2-N,5-trimethylnon-4-ene-1,2-diimine is C/C=C(\C=C(\C)CCCC)C(/C=N/C)=NC.
What is the InChIKey of (Z,3E)-3-ethylidene-1-N,2-N,5-trimethylnon-4-ene-1,2-diimine?
The InChIKey is DQPAFSPFGOYAMF-ZZVAAIEKSA-N. The full InChI is InChI=1S/C14H24N2/c1-6-8-9-12(3)10-13(7-2)14(16-5)11-15-4/h7,10-11H,6,8-9H2,1-5H3/b12-10-,13-7+,15-11+,16-14+.
What are the key properties of (Z,3E)-3-ethylidene-1-N,2-N,5-trimethylnon-4-ene-1,2-diimine?
(Z,3E)-3-ethylidene-1-N,2-N,5-trimethylnon-4-ene-1,2-diimine has a molecular weight of 220.36 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3E)-3-ethylidene-1-N,2-N,5-trimethylnon-4-ene-1,2-diimine is sourced from PubChem (CID 123138127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).