N-(2-ethylpenta-1,4-dienyl)ethanimine

C9H15N — CID 123272277

IUPACN-(2-ethylpenta-1,4-dienyl)ethanimine
SMILESC=CCC(=C/N=C/C)CC
InChIInChI=1S/C9H15N/c1-4-7-9(5-2)8-10-6-3/h4,6,8H,1,5,7H2,2-3H3/b9-8?,10-6+
InChIKeyMYQZHMHETTUSLR-XYXFOIJRSA-N
MW137.23 g/mol
LogP2.95
Rot. Bonds4

About N-(2-ethylpenta-1,4-dienyl)ethanimine

N-(2-ethylpenta-1,4-dienyl)ethanimine (PubChem CID 123272277) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is N-(2-ethylpenta-1,4-dienyl)ethanimine.

Molecular Properties

Compound NameN-(2-ethylpenta-1,4-dienyl)ethanimine
PubChem CID123272277
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC NameN-(2-ethylpenta-1,4-dienyl)ethanimine
SMILESC=CCC(=C/N=C/C)CC
InChIInChI=1S/C9H15N/c1-4-7-9(5-2)8-10-6-3/h4,6,8H,1,5,7H2,2-3H3/b9-8?,10-6+
InChIKeyMYQZHMHETTUSLR-XYXFOIJRSA-N
XLogP2.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.95
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'}

Analyze N-(2-ethylpenta-1,4-dienyl)ethanimine 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 N-(2-ethylpenta-1,4-dienyl)ethanimine?
The IUPAC name of N-(2-ethylpenta-1,4-dienyl)ethanimine (CID 123272277) is N-(2-ethylpenta-1,4-dienyl)ethanimine.
What is the SMILES notation for N-(2-ethylpenta-1,4-dienyl)ethanimine?
The canonical SMILES for N-(2-ethylpenta-1,4-dienyl)ethanimine is C=CCC(=C/N=C/C)CC.
What is the InChIKey of N-(2-ethylpenta-1,4-dienyl)ethanimine?
The InChIKey is MYQZHMHETTUSLR-XYXFOIJRSA-N. The full InChI is InChI=1S/C9H15N/c1-4-7-9(5-2)8-10-6-3/h4,6,8H,1,5,7H2,2-3H3/b9-8?,10-6+.
What are the key properties of N-(2-ethylpenta-1,4-dienyl)ethanimine?
N-(2-ethylpenta-1,4-dienyl)ethanimine has a molecular weight of 137.23 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylpenta-1,4-dienyl)ethanimine is sourced from PubChem (CID 123272277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).