3,4-dimethanidyl-1-methylpyrrolidine;vanadium(2+)

C7H13NV — CID 174116308

IUPAC3,4-dimethanidyl-1-methylpyrrolidine;vanadium(2+)
SMILES[CH2-]C1CN(C)CC1[CH2-].[V+2]
InChIInChI=1S/C7H13N.V/c1-6-4-8(3)5-7(6)2;/h6-7H,1-2,4-5H2,3H3;/q-2;+2
InChIKeySDCUJCWZNLAPRG-UHFFFAOYSA-N
MW162.13 g/mol
LogP0.83
Rot. Bonds

About 3,4-dimethanidyl-1-methylpyrrolidine;vanadium(2+)

3,4-dimethanidyl-1-methylpyrrolidine;vanadium(2+) (PubChem CID 174116308) has the molecular formula C7H13NV and a molecular weight of 162.13 g/mol. Its IUPAC name is 3,4-dimethanidyl-1-methylpyrrolidine;vanadium(2+).

Molecular Properties

Compound Name3,4-dimethanidyl-1-methylpyrrolidine;vanadium(2+)
PubChem CID174116308
Molecular FormulaC7H13NV
Molecular Weight162.13 g/mol
Exact Mass162.05
IUPAC Name3,4-dimethanidyl-1-methylpyrrolidine;vanadium(2+)
SMILES[CH2-]C1CN(C)CC1[CH2-].[V+2]
InChIInChI=1S/C7H13N.V/c1-6-4-8(3)5-7(6)2;/h6-7H,1-2,4-5H2,3H3;/q-2;+2
InChIKeySDCUJCWZNLAPRG-UHFFFAOYSA-N
XLogP0.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.13
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,4-dimethanidyl-1-methylpyrrolidine;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

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethanidyl-1-methylpyrrolidine;vanadium(2+)?
The IUPAC name of 3,4-dimethanidyl-1-methylpyrrolidine;vanadium(2+) (CID 174116308) is 3,4-dimethanidyl-1-methylpyrrolidine;vanadium(2+).
What is the SMILES notation for 3,4-dimethanidyl-1-methylpyrrolidine;vanadium(2+)?
The canonical SMILES for 3,4-dimethanidyl-1-methylpyrrolidine;vanadium(2+) is [CH2-]C1CN(C)CC1[CH2-].[V+2].
What is the InChIKey of 3,4-dimethanidyl-1-methylpyrrolidine;vanadium(2+)?
The InChIKey is SDCUJCWZNLAPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N.V/c1-6-4-8(3)5-7(6)2;/h6-7H,1-2,4-5H2,3H3;/q-2;+2.
What are the key properties of 3,4-dimethanidyl-1-methylpyrrolidine;vanadium(2+)?
3,4-dimethanidyl-1-methylpyrrolidine;vanadium(2+) has a molecular weight of 162.13 g/mol, XLogP of 0.83, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethanidyl-1-methylpyrrolidine;vanadium(2+) is sourced from PubChem (CID 174116308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).