[(2E,4E)-4-[azanidylidene(phenyl)methyl]hexa-2,4-dien-3-yl]-methylazanide;ethane;vanadium(2+)

C16H22N2V — CID 144892994

IUPAC[(2E,4E)-4-[azanidylidene(phenyl)methyl]hexa-2,4-dien-3-yl]-methylazanide;ethane;vanadium(2+)
SMILESC/C=C([N-]C)\C(=C/C)C(=[N-])c1ccccc1.CC.[V+2]
InChIInChI=1S/C14H16N2.C2H6.V/c1-4-12(13(5-2)16-3)14(15)11-9-7-6-8-10-11;1-2;/h4-10H,1-3H3;1-2H3;/q-2;;+2/b12-4+,13-5+;;
InChIKeyOEWQEYOQPWNEFO-SRVGNKHJSA-N
MW293.31 g/mol
LogP4.92
Rot. Bonds4

About [(2E,4E)-4-[azanidylidene(phenyl)methyl]hexa-2,4-dien-3-yl]-methylazanide;ethane;vanadium(2+)

[(2E,4E)-4-[azanidylidene(phenyl)methyl]hexa-2,4-dien-3-yl]-methylazanide;ethane;vanadium(2+) (PubChem CID 144892994) has the molecular formula C16H22N2V and a molecular weight of 293.31 g/mol. Its IUPAC name is [(2E,4E)-4-[azanidylidene(phenyl)methyl]hexa-2,4-dien-3-yl]-methylazanide;ethane;vanadium(2+).

Molecular Properties

Compound Name[(2E,4E)-4-[azanidylidene(phenyl)methyl]hexa-2,4-dien-3-yl]-methylazanide;ethane;vanadium(2+)
PubChem CID144892994
Molecular FormulaC16H22N2V
Molecular Weight293.31 g/mol
Exact Mass293.12
IUPAC Name[(2E,4E)-4-[azanidylidene(phenyl)methyl]hexa-2,4-dien-3-yl]-methylazanide;ethane;vanadium(2+)
SMILESC/C=C([N-]C)\C(=C/C)C(=[N-])c1ccccc1.CC.[V+2]
InChIInChI=1S/C14H16N2.C2H6.V/c1-4-12(13(5-2)16-3)14(15)11-9-7-6-8-10-11;1-2;/h4-10H,1-3H3;1-2H3;/q-2;;+2/b12-4+,13-5+;;
InChIKeyOEWQEYOQPWNEFO-SRVGNKHJSA-N
XLogP4.92
TPSA36.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [(2E,4E)-4-[azanidylidene(phenyl)methyl]hexa-2,4-dien-3-yl]-methylazanide;ethane;vanadium(2+) 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

5-[1-(4-fluorophenyl)ethylideneamino]-N,N,4-trimethylcyclohexa-1,5-dien-1-amine
CID 87918226
(8aS)-2-(4-fluorophenyl)-N,N-dimethyl-8,8a-dihydroquinolin-7-amine
CID 89789321
1-(4-fluorophenyl)-N-methyl-2-(1-methyl-2H-pyridin-4-yl)prop-2-en-1-imine
CID 123769990
ethane;1-methyl-4-phenyl-6-[(2E,4E)-4-(trifluoromethyl)hexa-2,4-dien-3-yl]-2H-triazine
CID 142128290
4-[[1-(2,4-difluorophenyl)ethylideneamino]methyl]-N-methyl-N-propylhex-1-en-2-amine
CID 143117277
(3Z)-5-[1-(4-fluorophenyl)ethylideneamino]-N,6-dimethyl-N-(3-methylpentyl)hepta-1,3,5-trien-2-amine
CID 156445464
(Z)-N-fluoro-3-imino-N-methyl-1,3-diphenylprop-1-en-1-amine
CID 163601417
5-fluoro-N,N-dimethyl-6-(3-phenylpropyl)cyclohexa-1,5-dien-1-amine
CID 173294309
[2-(Dimethylamino)-3-phenylcycloprop-2-en-1-ylidene]-dimethylazanium
CID 11044408
6,6f-Diphenyl-3,3f,4,4f-tetraethyl-2,2f-bis(azafulvene)
CID 11697461
1-phenyl-N-[(E)-1-phenylprop-1-enyl]propan-1-imine
CID 11831823
[2-[Di(propan-2-yl)amino]-3-phenylcycloprop-2-en-1-ylidene]-di(propan-2-yl)azanium
CID 12499001

Frequently Asked Questions

What is the IUPAC name of [(2E,4E)-4-[azanidylidene(phenyl)methyl]hexa-2,4-dien-3-yl]-methylazanide;ethane;vanadium(2+)?
The IUPAC name of [(2E,4E)-4-[azanidylidene(phenyl)methyl]hexa-2,4-dien-3-yl]-methylazanide;ethane;vanadium(2+) (CID 144892994) is [(2E,4E)-4-[azanidylidene(phenyl)methyl]hexa-2,4-dien-3-yl]-methylazanide;ethane;vanadium(2+).
What is the SMILES notation for [(2E,4E)-4-[azanidylidene(phenyl)methyl]hexa-2,4-dien-3-yl]-methylazanide;ethane;vanadium(2+)?
The canonical SMILES for [(2E,4E)-4-[azanidylidene(phenyl)methyl]hexa-2,4-dien-3-yl]-methylazanide;ethane;vanadium(2+) is C/C=C([N-]C)\C(=C/C)C(=[N-])c1ccccc1.CC.[V+2].
What is the InChIKey of [(2E,4E)-4-[azanidylidene(phenyl)methyl]hexa-2,4-dien-3-yl]-methylazanide;ethane;vanadium(2+)?
The InChIKey is OEWQEYOQPWNEFO-SRVGNKHJSA-N. The full InChI is InChI=1S/C14H16N2.C2H6.V/c1-4-12(13(5-2)16-3)14(15)11-9-7-6-8-10-11;1-2;/h4-10H,1-3H3;1-2H3;/q-2;;+2/b12-4+,13-5+;;.
What are the key properties of [(2E,4E)-4-[azanidylidene(phenyl)methyl]hexa-2,4-dien-3-yl]-methylazanide;ethane;vanadium(2+)?
[(2E,4E)-4-[azanidylidene(phenyl)methyl]hexa-2,4-dien-3-yl]-methylazanide;ethane;vanadium(2+) has a molecular weight of 293.31 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,4E)-4-[azanidylidene(phenyl)methyl]hexa-2,4-dien-3-yl]-methylazanide;ethane;vanadium(2+) is sourced from PubChem (CID 144892994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).