(5Z)-6-ethyl-N-methylocta-5,7-dien-1-imine

C11H19N — CID 163836003

IUPAC(5Z)-6-ethyl-N-methylocta-5,7-dien-1-imine
SMILESC=C/C(=C\CCC/C=N/C)CC
InChIInChI=1S/C11H19N/c1-4-11(5-2)9-7-6-8-10-12-3/h4,9-10H,1,5-8H2,2-3H3/b11-9+,12-10+
InChIKeyOHTZYCGLZPXNKI-WGDLNXRISA-N
MW165.28 g/mol
LogP3.38
Rot. Bonds6

About (5Z)-6-ethyl-N-methylocta-5,7-dien-1-imine

(5Z)-6-ethyl-N-methylocta-5,7-dien-1-imine (PubChem CID 163836003) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is (5Z)-6-ethyl-N-methylocta-5,7-dien-1-imine.

Molecular Properties

Compound Name(5Z)-6-ethyl-N-methylocta-5,7-dien-1-imine
PubChem CID163836003
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name(5Z)-6-ethyl-N-methylocta-5,7-dien-1-imine
SMILESC=C/C(=C\CCC/C=N/C)CC
InChIInChI=1S/C11H19N/c1-4-11(5-2)9-7-6-8-10-12-3/h4,9-10H,1,5-8H2,2-3H3/b11-9+,12-10+
InChIKeyOHTZYCGLZPXNKI-WGDLNXRISA-N
XLogP3.38
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (5Z)-6-ethyl-N-methylocta-5,7-dien-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 (5Z)-6-ethyl-N-methylocta-5,7-dien-1-imine?
The IUPAC name of (5Z)-6-ethyl-N-methylocta-5,7-dien-1-imine (CID 163836003) is (5Z)-6-ethyl-N-methylocta-5,7-dien-1-imine.
What is the SMILES notation for (5Z)-6-ethyl-N-methylocta-5,7-dien-1-imine?
The canonical SMILES for (5Z)-6-ethyl-N-methylocta-5,7-dien-1-imine is C=C/C(=C\CCC/C=N/C)CC.
What is the InChIKey of (5Z)-6-ethyl-N-methylocta-5,7-dien-1-imine?
The InChIKey is OHTZYCGLZPXNKI-WGDLNXRISA-N. The full InChI is InChI=1S/C11H19N/c1-4-11(5-2)9-7-6-8-10-12-3/h4,9-10H,1,5-8H2,2-3H3/b11-9+,12-10+.
What are the key properties of (5Z)-6-ethyl-N-methylocta-5,7-dien-1-imine?
(5Z)-6-ethyl-N-methylocta-5,7-dien-1-imine has a molecular weight of 165.28 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-6-ethyl-N-methylocta-5,7-dien-1-imine is sourced from PubChem (CID 163836003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).