(Z,2Z,3E)-2,3-di(ethylidene)-N-methyloct-5-en-1-imine

C13H21N — CID 134224923

IUPAC(Z,2Z,3E)-2,3-di(ethylidene)-N-methyloct-5-en-1-imine
SMILESC/C=C(\C=N\C)C(=C/C)/C/C=C\CC
InChIInChI=1S/C13H21N/c1-5-8-9-10-12(6-2)13(7-3)11-14-4/h6-9,11H,5,10H2,1-4H3/b9-8-,12-6+,13-7+,14-11+
InChIKeyVLDHQGONIZOHCO-GJZOCZRASA-N
MW191.32 g/mol
LogP3.94
Rot. Bonds5

About (Z,2Z,3E)-2,3-di(ethylidene)-N-methyloct-5-en-1-imine

(Z,2Z,3E)-2,3-di(ethylidene)-N-methyloct-5-en-1-imine (PubChem CID 134224923) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is (Z,2Z,3E)-2,3-di(ethylidene)-N-methyloct-5-en-1-imine.

Molecular Properties

Compound Name(Z,2Z,3E)-2,3-di(ethylidene)-N-methyloct-5-en-1-imine
PubChem CID134224923
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name(Z,2Z,3E)-2,3-di(ethylidene)-N-methyloct-5-en-1-imine
SMILESC/C=C(\C=N\C)C(=C/C)/C/C=C\CC
InChIInChI=1S/C13H21N/c1-5-8-9-10-12(6-2)13(7-3)11-14-4/h6-9,11H,5,10H2,1-4H3/b9-8-,12-6+,13-7+,14-11+
InChIKeyVLDHQGONIZOHCO-GJZOCZRASA-N
XLogP3.94
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (Z,2Z,3E)-2,3-di(ethylidene)-N-methyloct-5-en-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z,2Z,3E)-2,3-di(ethylidene)-N-methyloct-5-en-1-imine?
The IUPAC name of (Z,2Z,3E)-2,3-di(ethylidene)-N-methyloct-5-en-1-imine (CID 134224923) is (Z,2Z,3E)-2,3-di(ethylidene)-N-methyloct-5-en-1-imine.
What is the SMILES notation for (Z,2Z,3E)-2,3-di(ethylidene)-N-methyloct-5-en-1-imine?
The canonical SMILES for (Z,2Z,3E)-2,3-di(ethylidene)-N-methyloct-5-en-1-imine is C/C=C(\C=N\C)C(=C/C)/C/C=C\CC.
What is the InChIKey of (Z,2Z,3E)-2,3-di(ethylidene)-N-methyloct-5-en-1-imine?
The InChIKey is VLDHQGONIZOHCO-GJZOCZRASA-N. The full InChI is InChI=1S/C13H21N/c1-5-8-9-10-12(6-2)13(7-3)11-14-4/h6-9,11H,5,10H2,1-4H3/b9-8-,12-6+,13-7+,14-11+.
What are the key properties of (Z,2Z,3E)-2,3-di(ethylidene)-N-methyloct-5-en-1-imine?
(Z,2Z,3E)-2,3-di(ethylidene)-N-methyloct-5-en-1-imine has a molecular weight of 191.32 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2Z,3E)-2,3-di(ethylidene)-N-methyloct-5-en-1-imine is sourced from PubChem (CID 134224923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).