3-[(ethylideneamino)methylidene]-2-methylidene-N-prop-1-enylpent-4-en-1-imine

C12H16N2 — CID 91480491

IUPAC3-[(ethylideneamino)methylidene]-2-methylidene-N-prop-1-enylpent-4-en-1-imine
SMILESC=CC(=C/N=C/C)C(=C)/C=N/C=CC
InChIInChI=1S/C12H16N2/c1-5-8-14-9-11(4)12(6-2)10-13-7-3/h5-10H,2,4H2,1,3H3/b8-5?,12-10?,13-7+,14-9+
InChIKeyPZMOWKLZOPHJHX-RTYKWVGCSA-N
MW188.27 g/mol
LogP3.31
Rot. Bonds5

About 3-[(ethylideneamino)methylidene]-2-methylidene-N-prop-1-enylpent-4-en-1-imine

3-[(ethylideneamino)methylidene]-2-methylidene-N-prop-1-enylpent-4-en-1-imine (PubChem CID 91480491) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 3-[(ethylideneamino)methylidene]-2-methylidene-N-prop-1-enylpent-4-en-1-imine.

Molecular Properties

Compound Name3-[(ethylideneamino)methylidene]-2-methylidene-N-prop-1-enylpent-4-en-1-imine
PubChem CID91480491
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name3-[(ethylideneamino)methylidene]-2-methylidene-N-prop-1-enylpent-4-en-1-imine
SMILESC=CC(=C/N=C/C)C(=C)/C=N/C=CC
InChIInChI=1S/C12H16N2/c1-5-8-14-9-11(4)12(6-2)10-13-7-3/h5-10H,2,4H2,1,3H3/b8-5?,12-10?,13-7+,14-9+
InChIKeyPZMOWKLZOPHJHX-RTYKWVGCSA-N
XLogP3.31
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[(ethylideneamino)methylidene]-2-methylidene-N-prop-1-enylpent-4-en-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)-5-(dimethylamino)-3-methyl-2,4-pentadienylidene]bis(methyl)azanium
CID 2046519
4-Azanonatriene
CID 129782426
[5-(Dimethylamino)-3-[2-(dimethylamino)ethenyl]penta-2,4-dienylidene]-dimethylazanium
CID 498425
[(4E)-5-(dimethylamino)-3-[(E)-2-(dimethylamino)vinyl]penta-2,4-dienylidene]-dimethyl-ammonium
CID 5935493
2-methyl-N-[(E)-3-methylbut-1-enyl]propan-1-imine
CID 22086823
N-pent-1-enylpentan-1-imine
CID 53963202
2-methyl-N-[(Z)-3-methylbut-1-enyl]propan-1-imine
CID 59967158
N-[(1Z)-3-methylbuta-1,3-dienyl]pentan-1-imine
CID 88858217
(1E)-2-methyl-3-N-[(Z)-prop-1-enyl]-1-N-prop-2-enylidenepenta-1,4-diene-1,3-diimine
CID 89088417
N-[(Z)-3-methylidenepent-1-enyl]ethanimine
CID 89125593
N-[(1Z)-3-methylbuta-1,3-dienyl]ethanimine
CID 89300744
3-[(ethylideneamino)methylidene]-N-methylocta-1,5-dien-4-imine
CID 90685395

Frequently Asked Questions

What is the IUPAC name of 3-[(ethylideneamino)methylidene]-2-methylidene-N-prop-1-enylpent-4-en-1-imine?
The IUPAC name of 3-[(ethylideneamino)methylidene]-2-methylidene-N-prop-1-enylpent-4-en-1-imine (CID 91480491) is 3-[(ethylideneamino)methylidene]-2-methylidene-N-prop-1-enylpent-4-en-1-imine.
What is the SMILES notation for 3-[(ethylideneamino)methylidene]-2-methylidene-N-prop-1-enylpent-4-en-1-imine?
The canonical SMILES for 3-[(ethylideneamino)methylidene]-2-methylidene-N-prop-1-enylpent-4-en-1-imine is C=CC(=C/N=C/C)C(=C)/C=N/C=CC.
What is the InChIKey of 3-[(ethylideneamino)methylidene]-2-methylidene-N-prop-1-enylpent-4-en-1-imine?
The InChIKey is PZMOWKLZOPHJHX-RTYKWVGCSA-N. The full InChI is InChI=1S/C12H16N2/c1-5-8-14-9-11(4)12(6-2)10-13-7-3/h5-10H,2,4H2,1,3H3/b8-5?,12-10?,13-7+,14-9+.
What are the key properties of 3-[(ethylideneamino)methylidene]-2-methylidene-N-prop-1-enylpent-4-en-1-imine?
3-[(ethylideneamino)methylidene]-2-methylidene-N-prop-1-enylpent-4-en-1-imine has a molecular weight of 188.27 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(ethylideneamino)methylidene]-2-methylidene-N-prop-1-enylpent-4-en-1-imine is sourced from PubChem (CID 91480491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).