N-(2,4-dimethylbenzene-6-id-1-yl)ethanimine;vanadium(2+)

C10H11NV — CID 20619121

IUPACN-(2,4-dimethylbenzene-6-id-1-yl)ethanimine;vanadium(2+)
SMILESC/[C-]=N/c1[c-]cc(C)cc1C.[V+2]
InChIInChI=1S/C10H11N.V/c1-4-11-10-6-5-8(2)7-9(10)3;/h5,7H,1-3H3;/q-2;+2
InChIKeyORYASNYOMMMIIF-UHFFFAOYSA-N
MW196.15 g/mol
LogP2.70
Rot. Bonds1

About N-(2,4-dimethylbenzene-6-id-1-yl)ethanimine;vanadium(2+)

N-(2,4-dimethylbenzene-6-id-1-yl)ethanimine;vanadium(2+) (PubChem CID 20619121) has the molecular formula C10H11NV and a molecular weight of 196.15 g/mol. Its IUPAC name is N-(2,4-dimethylbenzene-6-id-1-yl)ethanimine;vanadium(2+).

Molecular Properties

Compound NameN-(2,4-dimethylbenzene-6-id-1-yl)ethanimine;vanadium(2+)
PubChem CID20619121
Molecular FormulaC10H11NV
Molecular Weight196.15 g/mol
Exact Mass196.03
IUPAC NameN-(2,4-dimethylbenzene-6-id-1-yl)ethanimine;vanadium(2+)
SMILESC/[C-]=N/c1[c-]cc(C)cc1C.[V+2]
InChIInChI=1S/C10H11N.V/c1-4-11-10-6-5-8(2)7-9(10)3;/h5,7H,1-3H3;/q-2;+2
InChIKeyORYASNYOMMMIIF-UHFFFAOYSA-N
XLogP2.70
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.15
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-6-methylene indole
CID 177865505
N-(3-methylbenzene-6-id-1-yl)ethanimine;vanadium(2+)
CID 20652965
N-(2-methylbenzene-6-id-1-yl)ethanimine;vanadium(2+)
CID 20652967
N-(2,5-dimethylbenzene-6-id-1-yl)ethanimine;uranium(2+)
CID 23395152
2-methyl-6H-cyclopenta[b]pyridine
CID 53690773
4,6-dimethyl-2-(3-methylbenzene-6-id-1-yl)-3H-pyridin-3-ide;iridium
CID 57693697
N-(2-methylbenzene-6-id-1-yl)propan-1-imine;tungsten(2+)
CID 59567169
N-(3-methylbenzene-2-id-1-yl)propan-1-imine;tungsten(2+)
CID 59659054
(2E)-2-ethylidene-3,5-dimethylpyrrole
CID 89671981
2,6-dimethyl-6H-indole
CID 150241664
2-Propan-2-ylideneindole
CID 153949338
potassium N-(3-methylbenzene-6-id-1-yl)pentan-1-imine
CID 155749281

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylbenzene-6-id-1-yl)ethanimine;vanadium(2+)?
The IUPAC name of N-(2,4-dimethylbenzene-6-id-1-yl)ethanimine;vanadium(2+) (CID 20619121) is N-(2,4-dimethylbenzene-6-id-1-yl)ethanimine;vanadium(2+).
What is the SMILES notation for N-(2,4-dimethylbenzene-6-id-1-yl)ethanimine;vanadium(2+)?
The canonical SMILES for N-(2,4-dimethylbenzene-6-id-1-yl)ethanimine;vanadium(2+) is C/[C-]=N/c1[c-]cc(C)cc1C.[V+2].
What is the InChIKey of N-(2,4-dimethylbenzene-6-id-1-yl)ethanimine;vanadium(2+)?
The InChIKey is ORYASNYOMMMIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N.V/c1-4-11-10-6-5-8(2)7-9(10)3;/h5,7H,1-3H3;/q-2;+2.
What are the key properties of N-(2,4-dimethylbenzene-6-id-1-yl)ethanimine;vanadium(2+)?
N-(2,4-dimethylbenzene-6-id-1-yl)ethanimine;vanadium(2+) has a molecular weight of 196.15 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylbenzene-6-id-1-yl)ethanimine;vanadium(2+) is sourced from PubChem (CID 20619121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).