(E,E)-N-[(E)-ethylideneamino]-5-methyl-3-methylideneoct-4-en-2-imine

C12H20N2 — CID 123284627

IUPAC(E,E)-N-[(E)-ethylideneamino]-5-methyl-3-methylideneoct-4-en-2-imine
SMILESC=C(/C=C(\C)CCC)/C(C)=N/N=C/C
InChIInChI=1S/C12H20N2/c1-6-8-10(3)9-11(4)12(5)14-13-7-2/h7,9H,4,6,8H2,1-3,5H3/b10-9+,13-7+,14-12-
InChIKeyFVNSZSDHHWNBPL-RCJNVBMCSA-N
MW192.31 g/mol
LogP3.76
Rot. Bonds5

About (E,E)-N-[(E)-ethylideneamino]-5-methyl-3-methylideneoct-4-en-2-imine

(E,E)-N-[(E)-ethylideneamino]-5-methyl-3-methylideneoct-4-en-2-imine (PubChem CID 123284627) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is (E,E)-N-[(E)-ethylideneamino]-5-methyl-3-methylideneoct-4-en-2-imine.

Molecular Properties

Compound Name(E,E)-N-[(E)-ethylideneamino]-5-methyl-3-methylideneoct-4-en-2-imine
PubChem CID123284627
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name(E,E)-N-[(E)-ethylideneamino]-5-methyl-3-methylideneoct-4-en-2-imine
SMILESC=C(/C=C(\C)CCC)/C(C)=N/N=C/C
InChIInChI=1S/C12H20N2/c1-6-8-10(3)9-11(4)12(5)14-13-7-2/h7,9H,4,6,8H2,1-3,5H3/b10-9+,13-7+,14-12-
InChIKeyFVNSZSDHHWNBPL-RCJNVBMCSA-N
XLogP3.76
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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3-Cyclododeca-1,3,5-trien-1-yl-1,2-diazacyclododeca-2,10,12-triene
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3-cyclohepta-1,3-dien-1-yl-5,6-dihydro-4H-diazepine
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6,7-diethyl-4-methyl-4H-diazepine
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Frequently Asked Questions

What is the IUPAC name of (E,E)-N-[(E)-ethylideneamino]-5-methyl-3-methylideneoct-4-en-2-imine?
The IUPAC name of (E,E)-N-[(E)-ethylideneamino]-5-methyl-3-methylideneoct-4-en-2-imine (CID 123284627) is (E,E)-N-[(E)-ethylideneamino]-5-methyl-3-methylideneoct-4-en-2-imine.
What is the SMILES notation for (E,E)-N-[(E)-ethylideneamino]-5-methyl-3-methylideneoct-4-en-2-imine?
The canonical SMILES for (E,E)-N-[(E)-ethylideneamino]-5-methyl-3-methylideneoct-4-en-2-imine is C=C(/C=C(\C)CCC)/C(C)=N/N=C/C.
What is the InChIKey of (E,E)-N-[(E)-ethylideneamino]-5-methyl-3-methylideneoct-4-en-2-imine?
The InChIKey is FVNSZSDHHWNBPL-RCJNVBMCSA-N. The full InChI is InChI=1S/C12H20N2/c1-6-8-10(3)9-11(4)12(5)14-13-7-2/h7,9H,4,6,8H2,1-3,5H3/b10-9+,13-7+,14-12-.
What are the key properties of (E,E)-N-[(E)-ethylideneamino]-5-methyl-3-methylideneoct-4-en-2-imine?
(E,E)-N-[(E)-ethylideneamino]-5-methyl-3-methylideneoct-4-en-2-imine has a molecular weight of 192.31 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,E)-N-[(E)-ethylideneamino]-5-methyl-3-methylideneoct-4-en-2-imine is sourced from PubChem (CID 123284627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).