ethane;(2Z)-N-ethenylpenta-2,4-dien-1-imine

C9H15N — CID 142114329

IUPACethane;(2Z)-N-ethenylpenta-2,4-dien-1-imine
SMILESC=C/C=C\C=N\C=C.CC
InChIInChI=1S/C7H9N.C2H6/c1-3-5-6-7-8-4-2;1-2/h3-7H,1-2H2;1-2H3/b6-5-,8-7+;
InChIKeyQYKJLLDWTYJAOV-DUZKJZLISA-N
MW137.23 g/mol
LogP2.97
Rot. Bonds3

About ethane;(2Z)-N-ethenylpenta-2,4-dien-1-imine

ethane;(2Z)-N-ethenylpenta-2,4-dien-1-imine (PubChem CID 142114329) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is ethane;(2Z)-N-ethenylpenta-2,4-dien-1-imine.

Molecular Properties

Compound Nameethane;(2Z)-N-ethenylpenta-2,4-dien-1-imine
PubChem CID142114329
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Nameethane;(2Z)-N-ethenylpenta-2,4-dien-1-imine
SMILESC=C/C=C\C=N\C=C.CC
InChIInChI=1S/C7H9N.C2H6/c1-3-5-6-7-8-4-2;1-2/h3-7H,1-2H2;1-2H3/b6-5-,8-7+;
InChIKeyQYKJLLDWTYJAOV-DUZKJZLISA-N
XLogP2.97
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.97
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 ethane;(2Z)-N-ethenylpenta-2,4-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

Related Compounds

(2E,4E)-N-ethenylhepta-2,4,6-trien-1-imine
CID 163564879
ethane;ethene;N-ethenylprop-2-en-1-imine
CID 145208086
(1E,3Z)-5-ethenyliminopenta-1,3-dien-1-amine
CID 88887838
N-ethenyl-5-methylhexa-2,4-dien-1-imine
CID 91120080
ethane;ethene;(3E)-hexa-1,3,5-triene
CID 91058254
(2E)-N-[(1Z,3E)-penta-1,3-dienyl]penta-2,4-dien-1-imine
CID 144631744
(Z)-N-ethenyl-N'-ethylideneprop-2-ene-1,3-diimine
CID 126660383
N-methylhepta-2,4,6-trien-1-imine
CID 54148857
ethane;(3Z)-hexa-1,3,5-triene;propane
CID 142062128
cyclohexane;(2Z)-N-methylpenta-2,4-dien-1-imine
CID 144794255
buta-1,3-diene;ethane;N-ethenylethanimine
CID 142052316
(3E,5E,7E,9E,11E,13E,15E)-octadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 15379303

Frequently Asked Questions

What is the IUPAC name of ethane;(2Z)-N-ethenylpenta-2,4-dien-1-imine?
The IUPAC name of ethane;(2Z)-N-ethenylpenta-2,4-dien-1-imine (CID 142114329) is ethane;(2Z)-N-ethenylpenta-2,4-dien-1-imine.
What is the SMILES notation for ethane;(2Z)-N-ethenylpenta-2,4-dien-1-imine?
The canonical SMILES for ethane;(2Z)-N-ethenylpenta-2,4-dien-1-imine is C=C/C=C\C=N\C=C.CC.
What is the InChIKey of ethane;(2Z)-N-ethenylpenta-2,4-dien-1-imine?
The InChIKey is QYKJLLDWTYJAOV-DUZKJZLISA-N. The full InChI is InChI=1S/C7H9N.C2H6/c1-3-5-6-7-8-4-2;1-2/h3-7H,1-2H2;1-2H3/b6-5-,8-7+;.
What are the key properties of ethane;(2Z)-N-ethenylpenta-2,4-dien-1-imine?
ethane;(2Z)-N-ethenylpenta-2,4-dien-1-imine has a molecular weight of 137.23 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2Z)-N-ethenylpenta-2,4-dien-1-imine is sourced from PubChem (CID 142114329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).