2-methylbenzene-6-id-1-amine;vanadium

C7H8NV- — CID 155699950

IUPAC2-methylbenzene-6-id-1-amine;vanadium
SMILESCc1ccc[c-]c1N.[V]
InChIInChI=1S/C7H8N.V/c1-6-4-2-3-5-7(6)8;/h2-4H,8H2,1H3;/q-1;
InChIKeyVXDRYNVFQXJIFG-UHFFFAOYSA-N
MW157.09 g/mol
LogP1.37
Rot. Bonds

About 2-methylbenzene-6-id-1-amine;vanadium

2-methylbenzene-6-id-1-amine;vanadium (PubChem CID 155699950) has the molecular formula C7H8NV- and a molecular weight of 157.09 g/mol. Its IUPAC name is 2-methylbenzene-6-id-1-amine;vanadium.

Molecular Properties

Compound Name2-methylbenzene-6-id-1-amine;vanadium
PubChem CID155699950
Molecular FormulaC7H8NV-
Molecular Weight157.09 g/mol
Exact Mass157.01
IUPAC Name2-methylbenzene-6-id-1-amine;vanadium
SMILESCc1ccc[c-]c1N.[V]
InChIInChI=1S/C7H8N.V/c1-6-4-2-3-5-7(6)8;/h2-4H,8H2,1H3;/q-1;
InChIKeyVXDRYNVFQXJIFG-UHFFFAOYSA-N
XLogP1.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.09
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

magnesium;1,2-dimethylbenzene-6-ide;iodide
CID 87227373
magnesium;1,2-dimethylbenzene-6-ide;chloride
CID 78061659
2-methylbenzene-6-ide-1-carbonitrile;yttrium(3+)
CID 20739775
vanadium;1,2-xylene
CID 143581691
(1S)-1-(2-methylbenzene-6-id-1-yl)ethanol;sulfane;yttrium
CID 158698260
magnesium;1-ethoxy-2-methylbenzene-6-ide;bromide
CID 133144444
1,2-dimethylbenzene-5-ide;1,2-dimethylbenzene-6-ide;yttrium
CID 154612836
1,2-xylene
CID 173422016
CID 175394275
CID 175394275
CID 67897123
CID 67897123
CID 159002136
CID 159002136
2-methylaniline;dihydrochloride
CID 23331471

Frequently Asked Questions

What is the IUPAC name of 2-methylbenzene-6-id-1-amine;vanadium?
The IUPAC name of 2-methylbenzene-6-id-1-amine;vanadium (CID 155699950) is 2-methylbenzene-6-id-1-amine;vanadium.
What is the SMILES notation for 2-methylbenzene-6-id-1-amine;vanadium?
The canonical SMILES for 2-methylbenzene-6-id-1-amine;vanadium is Cc1ccc[c-]c1N.[V].
What is the InChIKey of 2-methylbenzene-6-id-1-amine;vanadium?
The InChIKey is VXDRYNVFQXJIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N.V/c1-6-4-2-3-5-7(6)8;/h2-4H,8H2,1H3;/q-1;.
What are the key properties of 2-methylbenzene-6-id-1-amine;vanadium?
2-methylbenzene-6-id-1-amine;vanadium has a molecular weight of 157.09 g/mol, XLogP of 1.37, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbenzene-6-id-1-amine;vanadium is sourced from PubChem (CID 155699950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).