diiodovanadium;N'-(2-hydroperoxyethyl)-N,N'-dimethylmethanediamine;methane

C7H22I2N2O2V — CID 157422727

IUPACdiiodovanadium;N'-(2-hydroperoxyethyl)-N,N'-dimethylmethanediamine;methane
SMILESC.C.CNCN(C)CCOO.I[V]I
InChIInChI=1S/C5H14N2O2.2CH4.2HI.V/c1-6-5-7(2)3-4-9-8;;;;;/h6,8H,3-5H2,1-2H3;2*1H4;2*1H;/q;;;;;+2/p-2
InChIKeyBPPFBLZHLVLDBV-UHFFFAOYSA-L
MW471.02 g/mol
LogP2.63
Rot. Bonds5

About diiodovanadium;N'-(2-hydroperoxyethyl)-N,N'-dimethylmethanediamine;methane

diiodovanadium;N'-(2-hydroperoxyethyl)-N,N'-dimethylmethanediamine;methane (PubChem CID 157422727) has the molecular formula C7H22I2N2O2V and a molecular weight of 471.02 g/mol. Its IUPAC name is diiodovanadium;N'-(2-hydroperoxyethyl)-N,N'-dimethylmethanediamine;methane.

Molecular Properties

Compound Namediiodovanadium;N'-(2-hydroperoxyethyl)-N,N'-dimethylmethanediamine;methane
PubChem CID157422727
Molecular FormulaC7H22I2N2O2V
Molecular Weight471.02 g/mol
Exact Mass470.92
IUPAC Namediiodovanadium;N'-(2-hydroperoxyethyl)-N,N'-dimethylmethanediamine;methane
SMILESC.C.CNCN(C)CCOO.I[V]I
InChIInChI=1S/C5H14N2O2.2CH4.2HI.V/c1-6-5-7(2)3-4-9-8;;;;;/h6,8H,3-5H2,1-2H3;2*1H4;2*1H;/q;;;;;+2/p-2
InChIKeyBPPFBLZHLVLDBV-UHFFFAOYSA-L
XLogP2.63
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.02
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

N'-(4-methoxybutyl)-N,N'-dimethylmethanediamine
CID 143448630
N,N'-dimethyl-N'-propylmethanediamine;ethane
CID 142961631
[[methyl(methylaminomethyl)amino]methylamino]methanol
CID 129163630
2-[methyl-[2-(methylamino)ethyl]amino]ethyl dihydrogen phosphite
CID 143880541
2-[2-[2-[2-(dimethylamino)ethoxy]ethyl-methylamino]ethoxy]-N-methylethanamine
CID 90874873
N,N'-dimethyl-N'-propylethane-1,2-diamine;methane
CID 159586340
2-[2-[4-(aminomethyl)phenoxy]ethyl-methylamino]-N-methylacetamide
CID 43374648
ethane;N'-ethyl-N,N'-dimethylethane-1,2-diamine;methanol
CID 144534922
1-N-(2-methoxyethyl)-1-N,3-N,2,2-tetramethylbutane-1,3-diamine
CID 66453869
N'-[2-(3-methoxypropoxy)ethyl]-N,N'-dimethylpropane-1,3-diamine
CID 103181624
N'-(3-methoxypropyl)-N,N'-dimethylbutane-1,4-diamine
CID 63008855
N,N-dimethyl-2-(methylamino)ethanethioamide
CID 89279941

Frequently Asked Questions

What is the IUPAC name of diiodovanadium;N'-(2-hydroperoxyethyl)-N,N'-dimethylmethanediamine;methane?
The IUPAC name of diiodovanadium;N'-(2-hydroperoxyethyl)-N,N'-dimethylmethanediamine;methane (CID 157422727) is diiodovanadium;N'-(2-hydroperoxyethyl)-N,N'-dimethylmethanediamine;methane.
What is the SMILES notation for diiodovanadium;N'-(2-hydroperoxyethyl)-N,N'-dimethylmethanediamine;methane?
The canonical SMILES for diiodovanadium;N'-(2-hydroperoxyethyl)-N,N'-dimethylmethanediamine;methane is C.C.CNCN(C)CCOO.I[V]I.
What is the InChIKey of diiodovanadium;N'-(2-hydroperoxyethyl)-N,N'-dimethylmethanediamine;methane?
The InChIKey is BPPFBLZHLVLDBV-UHFFFAOYSA-L. The full InChI is InChI=1S/C5H14N2O2.2CH4.2HI.V/c1-6-5-7(2)3-4-9-8;;;;;/h6,8H,3-5H2,1-2H3;2*1H4;2*1H;/q;;;;;+2/p-2.
What are the key properties of diiodovanadium;N'-(2-hydroperoxyethyl)-N,N'-dimethylmethanediamine;methane?
diiodovanadium;N'-(2-hydroperoxyethyl)-N,N'-dimethylmethanediamine;methane has a molecular weight of 471.02 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diiodovanadium;N'-(2-hydroperoxyethyl)-N,N'-dimethylmethanediamine;methane is sourced from PubChem (CID 157422727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).