(2Z,6E)-N-ethyl-5-methylideneocta-2,6-dien-4-imine

C11H17N — CID 145498144

IUPAC(2Z,6E)-N-ethyl-5-methylideneocta-2,6-dien-4-imine
SMILESC=C(/C=C/C)C(/C=C\C)=NCC
InChIInChI=1S/C11H17N/c1-5-8-10(4)11(9-6-2)12-7-3/h5-6,8-9H,4,7H2,1-3H3/b8-5+,9-6-,12-11+
InChIKeyGBZSAFIYZKWYNN-RSWPCARGSA-N
MW163.26 g/mol
LogP3.16
Rot. Bonds4

About (2Z,6E)-N-ethyl-5-methylideneocta-2,6-dien-4-imine

(2Z,6E)-N-ethyl-5-methylideneocta-2,6-dien-4-imine (PubChem CID 145498144) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is (2Z,6E)-N-ethyl-5-methylideneocta-2,6-dien-4-imine.

Molecular Properties

Compound Name(2Z,6E)-N-ethyl-5-methylideneocta-2,6-dien-4-imine
PubChem CID145498144
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name(2Z,6E)-N-ethyl-5-methylideneocta-2,6-dien-4-imine
SMILESC=C(/C=C/C)C(/C=C\C)=NCC
InChIInChI=1S/C11H17N/c1-5-8-10(4)11(9-6-2)12-7-3/h5-6,8-9H,4,7H2,1-3H3/b8-5+,9-6-,12-11+
InChIKeyGBZSAFIYZKWYNN-RSWPCARGSA-N
XLogP3.16
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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,6E)-N-ethyl-5-methylideneocta-2,6-dien-4-imine?
The IUPAC name of (2Z,6E)-N-ethyl-5-methylideneocta-2,6-dien-4-imine (CID 145498144) is (2Z,6E)-N-ethyl-5-methylideneocta-2,6-dien-4-imine.
What is the SMILES notation for (2Z,6E)-N-ethyl-5-methylideneocta-2,6-dien-4-imine?
The canonical SMILES for (2Z,6E)-N-ethyl-5-methylideneocta-2,6-dien-4-imine is C=C(/C=C/C)C(/C=C\C)=NCC.
What is the InChIKey of (2Z,6E)-N-ethyl-5-methylideneocta-2,6-dien-4-imine?
The InChIKey is GBZSAFIYZKWYNN-RSWPCARGSA-N. The full InChI is InChI=1S/C11H17N/c1-5-8-10(4)11(9-6-2)12-7-3/h5-6,8-9H,4,7H2,1-3H3/b8-5+,9-6-,12-11+.
What are the key properties of (2Z,6E)-N-ethyl-5-methylideneocta-2,6-dien-4-imine?
(2Z,6E)-N-ethyl-5-methylideneocta-2,6-dien-4-imine has a molecular weight of 163.26 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,6E)-N-ethyl-5-methylideneocta-2,6-dien-4-imine is sourced from PubChem (CID 145498144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).