diiodovanadium;N,N,3-trimethylbut-2-en-2-amine

C7H15I2NV — CID 161469257

IUPACdiiodovanadium;N,N,3-trimethylbut-2-en-2-amine
SMILESCC(C)=C(C)N(C)C.I[V]I
InChIInChI=1S/C7H15N.2HI.V/c1-6(2)7(3)8(4)5;;;/h1-5H3;2*1H;/q;;;+2/p-2
InChIKeyWCVVWRFYPJRYTB-UHFFFAOYSA-L
MW417.96 g/mol
LogP3.63
Rot. Bonds1

About diiodovanadium;N,N,3-trimethylbut-2-en-2-amine

diiodovanadium;N,N,3-trimethylbut-2-en-2-amine (PubChem CID 161469257) has the molecular formula C7H15I2NV and a molecular weight of 417.96 g/mol. Its IUPAC name is diiodovanadium;N,N,3-trimethylbut-2-en-2-amine.

Molecular Properties

Compound Namediiodovanadium;N,N,3-trimethylbut-2-en-2-amine
PubChem CID161469257
Molecular FormulaC7H15I2NV
Molecular Weight417.96 g/mol
Exact Mass417.87
IUPAC Namediiodovanadium;N,N,3-trimethylbut-2-en-2-amine
SMILESCC(C)=C(C)N(C)C.I[V]I
InChIInChI=1S/C7H15N.2HI.V/c1-6(2)7(3)8(4)5;;;/h1-5H3;2*1H;/q;;;+2/p-2
InChIKeyWCVVWRFYPJRYTB-UHFFFAOYSA-L
XLogP3.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.96
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze diiodovanadium;N,N,3-trimethylbut-2-en-2-amine 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 diiodovanadium;N,N,3-trimethylbut-2-en-2-amine?
The IUPAC name of diiodovanadium;N,N,3-trimethylbut-2-en-2-amine (CID 161469257) is diiodovanadium;N,N,3-trimethylbut-2-en-2-amine.
What is the SMILES notation for diiodovanadium;N,N,3-trimethylbut-2-en-2-amine?
The canonical SMILES for diiodovanadium;N,N,3-trimethylbut-2-en-2-amine is CC(C)=C(C)N(C)C.I[V]I.
What is the InChIKey of diiodovanadium;N,N,3-trimethylbut-2-en-2-amine?
The InChIKey is WCVVWRFYPJRYTB-UHFFFAOYSA-L. The full InChI is InChI=1S/C7H15N.2HI.V/c1-6(2)7(3)8(4)5;;;/h1-5H3;2*1H;/q;;;+2/p-2.
What are the key properties of diiodovanadium;N,N,3-trimethylbut-2-en-2-amine?
diiodovanadium;N,N,3-trimethylbut-2-en-2-amine has a molecular weight of 417.96 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diiodovanadium;N,N,3-trimethylbut-2-en-2-amine is sourced from PubChem (CID 161469257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).