(2E,3Z)-2-ethylidene-N-(3-ethylpent-4-enyl)hexa-3,5-dien-1-imine

C15H23N — CID 166924755

IUPAC(2E,3Z)-2-ethylidene-N-(3-ethylpent-4-enyl)hexa-3,5-dien-1-imine
SMILESC=C/C=C\C(\C=N\CCC(C=C)CC)=C/C
InChIInChI=1S/C15H23N/c1-5-9-10-15(8-4)13-16-12-11-14(6-2)7-3/h5-6,8-10,13-14H,1-2,7,11-12H2,3-4H3/b10-9-,15-8+,16-13+
InChIKeyCMYDEWCBXLTBJW-SIFKGRFDSA-N
MW217.36 g/mol
LogP4.35
Rot. Bonds8

About (2E,3Z)-2-ethylidene-N-(3-ethylpent-4-enyl)hexa-3,5-dien-1-imine

(2E,3Z)-2-ethylidene-N-(3-ethylpent-4-enyl)hexa-3,5-dien-1-imine (PubChem CID 166924755) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is (2E,3Z)-2-ethylidene-N-(3-ethylpent-4-enyl)hexa-3,5-dien-1-imine.

Molecular Properties

Compound Name(2E,3Z)-2-ethylidene-N-(3-ethylpent-4-enyl)hexa-3,5-dien-1-imine
PubChem CID166924755
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name(2E,3Z)-2-ethylidene-N-(3-ethylpent-4-enyl)hexa-3,5-dien-1-imine
SMILESC=C/C=C\C(\C=N\CCC(C=C)CC)=C/C
InChIInChI=1S/C15H23N/c1-5-9-10-15(8-4)13-16-12-11-14(6-2)7-3/h5-6,8-10,13-14H,1-2,7,11-12H2,3-4H3/b10-9-,15-8+,16-13+
InChIKeyCMYDEWCBXLTBJW-SIFKGRFDSA-N
XLogP4.35
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.35
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 (2E,3Z)-2-ethylidene-N-(3-ethylpent-4-enyl)hexa-3,5-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 (2E,3Z)-2-ethylidene-N-(3-ethylpent-4-enyl)hexa-3,5-dien-1-imine?
The IUPAC name of (2E,3Z)-2-ethylidene-N-(3-ethylpent-4-enyl)hexa-3,5-dien-1-imine (CID 166924755) is (2E,3Z)-2-ethylidene-N-(3-ethylpent-4-enyl)hexa-3,5-dien-1-imine.
What is the SMILES notation for (2E,3Z)-2-ethylidene-N-(3-ethylpent-4-enyl)hexa-3,5-dien-1-imine?
The canonical SMILES for (2E,3Z)-2-ethylidene-N-(3-ethylpent-4-enyl)hexa-3,5-dien-1-imine is C=C/C=C\C(\C=N\CCC(C=C)CC)=C/C.
What is the InChIKey of (2E,3Z)-2-ethylidene-N-(3-ethylpent-4-enyl)hexa-3,5-dien-1-imine?
The InChIKey is CMYDEWCBXLTBJW-SIFKGRFDSA-N. The full InChI is InChI=1S/C15H23N/c1-5-9-10-15(8-4)13-16-12-11-14(6-2)7-3/h5-6,8-10,13-14H,1-2,7,11-12H2,3-4H3/b10-9-,15-8+,16-13+.
What are the key properties of (2E,3Z)-2-ethylidene-N-(3-ethylpent-4-enyl)hexa-3,5-dien-1-imine?
(2E,3Z)-2-ethylidene-N-(3-ethylpent-4-enyl)hexa-3,5-dien-1-imine has a molecular weight of 217.36 g/mol, XLogP of 4.35, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-2-ethylidene-N-(3-ethylpent-4-enyl)hexa-3,5-dien-1-imine is sourced from PubChem (CID 166924755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).