N-(2-methylbenzene-6-id-1-yl)ethanimine;vanadium(2+)

C9H9NV — CID 20652967

IUPACN-(2-methylbenzene-6-id-1-yl)ethanimine;vanadium(2+)
SMILESC/[C-]=N/c1[c-]cccc1C.[V+2]
InChIInChI=1S/C9H9N.V/c1-3-10-9-7-5-4-6-8(9)2;/h4-6H,1-2H3;/q-2;+2
InChIKeyLCCRIVZHTJHPMB-UHFFFAOYSA-N
MW182.12 g/mol
LogP2.39
Rot. Bonds1

About N-(2-methylbenzene-6-id-1-yl)ethanimine;vanadium(2+)

N-(2-methylbenzene-6-id-1-yl)ethanimine;vanadium(2+) (PubChem CID 20652967) has the molecular formula C9H9NV and a molecular weight of 182.12 g/mol. Its IUPAC name is N-(2-methylbenzene-6-id-1-yl)ethanimine;vanadium(2+).

Molecular Properties

Compound NameN-(2-methylbenzene-6-id-1-yl)ethanimine;vanadium(2+)
PubChem CID20652967
Molecular FormulaC9H9NV
Molecular Weight182.12 g/mol
Exact Mass182.02
IUPAC NameN-(2-methylbenzene-6-id-1-yl)ethanimine;vanadium(2+)
SMILESC/[C-]=N/c1[c-]cccc1C.[V+2]
InChIInChI=1S/C9H9N.V/c1-3-10-9-7-5-4-6-8(9)2;/h4-6H,1-2H3;/q-2;+2
InChIKeyLCCRIVZHTJHPMB-UHFFFAOYSA-N
XLogP2.39
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.12
LogP ≤ 52.39
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'}

Analyze N-(2-methylbenzene-6-id-1-yl)ethanimine;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

2-fluoro-6,7-dimethyl-6H-indole
CID 150606982
2-Methyl-6-methylene indole
CID 177865505
N-(2,4-dimethylbenzene-6-id-1-yl)ethanimine;vanadium(2+)
CID 20619121
N-(3-methylbenzene-6-id-1-yl)ethanimine;vanadium(2+)
CID 20652965
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-(5-methyl-2-propan-2-ylbenzene-6-id-1-yl)ethanimine;uranium(2+)
CID 57722336
N-(3-tert-butylbenzene-6-id-1-yl)ethanimine;tungsten(2+)
CID 58259817
N-(4-tert-butylbenzene-6-id-1-yl)ethanimine;tungsten(2+)
CID 58259819
2-but-2-en-2-yl-3H-pyridin-3-ide;yttrium
CID 58813990
2,3-Dimethyl-4,5-dihydrocyclopenta[b]pyridin-4-ide;yttrium
CID 59059997

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbenzene-6-id-1-yl)ethanimine;vanadium(2+)?
The IUPAC name of N-(2-methylbenzene-6-id-1-yl)ethanimine;vanadium(2+) (CID 20652967) is N-(2-methylbenzene-6-id-1-yl)ethanimine;vanadium(2+).
What is the SMILES notation for N-(2-methylbenzene-6-id-1-yl)ethanimine;vanadium(2+)?
The canonical SMILES for N-(2-methylbenzene-6-id-1-yl)ethanimine;vanadium(2+) is C/[C-]=N/c1[c-]cccc1C.[V+2].
What is the InChIKey of N-(2-methylbenzene-6-id-1-yl)ethanimine;vanadium(2+)?
The InChIKey is LCCRIVZHTJHPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N.V/c1-3-10-9-7-5-4-6-8(9)2;/h4-6H,1-2H3;/q-2;+2.
What are the key properties of N-(2-methylbenzene-6-id-1-yl)ethanimine;vanadium(2+)?
N-(2-methylbenzene-6-id-1-yl)ethanimine;vanadium(2+) has a molecular weight of 182.12 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbenzene-6-id-1-yl)ethanimine;vanadium(2+) is sourced from PubChem (CID 20652967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).