(2E,5Z)-3-ethyl-N-(2-methylbutyl)-4-methylideneocta-2,5,7-trien-1-imine

C16H25N — CID 166864652

IUPAC(2E,5Z)-3-ethyl-N-(2-methylbutyl)-4-methylideneocta-2,5,7-trien-1-imine
SMILESC=C/C=C\C(=C)/C(=C/C=N/CC(C)CC)CC
InChIInChI=1S/C16H25N/c1-6-9-10-15(5)16(8-3)11-12-17-13-14(4)7-2/h6,9-12,14H,1,5,7-8,13H2,2-4H3/b10-9-,16-11+,17-12+
InChIKeyHXAWASKINJNPDL-BCBOQUFQSA-N
MW231.38 g/mol
LogP4.74
Rot. Bonds8

About (2E,5Z)-3-ethyl-N-(2-methylbutyl)-4-methylideneocta-2,5,7-trien-1-imine

(2E,5Z)-3-ethyl-N-(2-methylbutyl)-4-methylideneocta-2,5,7-trien-1-imine (PubChem CID 166864652) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is (2E,5Z)-3-ethyl-N-(2-methylbutyl)-4-methylideneocta-2,5,7-trien-1-imine.

Molecular Properties

Compound Name(2E,5Z)-3-ethyl-N-(2-methylbutyl)-4-methylideneocta-2,5,7-trien-1-imine
PubChem CID166864652
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name(2E,5Z)-3-ethyl-N-(2-methylbutyl)-4-methylideneocta-2,5,7-trien-1-imine
SMILESC=C/C=C\C(=C)/C(=C/C=N/CC(C)CC)CC
InChIInChI=1S/C16H25N/c1-6-9-10-15(5)16(8-3)11-12-17-13-14(4)7-2/h6,9-12,14H,1,5,7-8,13H2,2-4H3/b10-9-,16-11+,17-12+
InChIKeyHXAWASKINJNPDL-BCBOQUFQSA-N
XLogP4.74
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.74
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'}

Analyze (2E,5Z)-3-ethyl-N-(2-methylbutyl)-4-methylideneocta-2,5,7-trien-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 (2E,5Z)-3-ethyl-N-(2-methylbutyl)-4-methylideneocta-2,5,7-trien-1-imine?
The IUPAC name of (2E,5Z)-3-ethyl-N-(2-methylbutyl)-4-methylideneocta-2,5,7-trien-1-imine (CID 166864652) is (2E,5Z)-3-ethyl-N-(2-methylbutyl)-4-methylideneocta-2,5,7-trien-1-imine.
What is the SMILES notation for (2E,5Z)-3-ethyl-N-(2-methylbutyl)-4-methylideneocta-2,5,7-trien-1-imine?
The canonical SMILES for (2E,5Z)-3-ethyl-N-(2-methylbutyl)-4-methylideneocta-2,5,7-trien-1-imine is C=C/C=C\C(=C)/C(=C/C=N/CC(C)CC)CC.
What is the InChIKey of (2E,5Z)-3-ethyl-N-(2-methylbutyl)-4-methylideneocta-2,5,7-trien-1-imine?
The InChIKey is HXAWASKINJNPDL-BCBOQUFQSA-N. The full InChI is InChI=1S/C16H25N/c1-6-9-10-15(5)16(8-3)11-12-17-13-14(4)7-2/h6,9-12,14H,1,5,7-8,13H2,2-4H3/b10-9-,16-11+,17-12+.
What are the key properties of (2E,5Z)-3-ethyl-N-(2-methylbutyl)-4-methylideneocta-2,5,7-trien-1-imine?
(2E,5Z)-3-ethyl-N-(2-methylbutyl)-4-methylideneocta-2,5,7-trien-1-imine has a molecular weight of 231.38 g/mol, XLogP of 4.74, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5Z)-3-ethyl-N-(2-methylbutyl)-4-methylideneocta-2,5,7-trien-1-imine is sourced from PubChem (CID 166864652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).