[1-(dimethylamino)-1-ethenyliminopropan-2-ylidene]tungsten;methane

C8H15N2W- — CID 161225829

IUPAC[1-(dimethylamino)-1-ethenyliminopropan-2-ylidene]tungsten;methane
SMILESC.[H]/[C-]=C/N=C(\C(C)=[W])N(C)C
InChIInChI=1S/C7H11N2.CH4.W/c1-5-7(8-6-2)9(3)4;;/h2,6H,1,3-4H3;1H4;/q-1;;/b8-7+;;
InChIKeyXGQDMKSCPLSWTF-MIIBGCIDSA-N
MW323.06 g/mol
LogP1.27
Rot. Bonds2

About [1-(dimethylamino)-1-ethenyliminopropan-2-ylidene]tungsten;methane

[1-(dimethylamino)-1-ethenyliminopropan-2-ylidene]tungsten;methane (PubChem CID 161225829) has the molecular formula C8H15N2W- and a molecular weight of 323.06 g/mol. Its IUPAC name is [1-(dimethylamino)-1-ethenyliminopropan-2-ylidene]tungsten;methane.

Molecular Properties

Compound Name[1-(dimethylamino)-1-ethenyliminopropan-2-ylidene]tungsten;methane
PubChem CID161225829
Molecular FormulaC8H15N2W-
Molecular Weight323.06 g/mol
Exact Mass323.08
IUPAC Name[1-(dimethylamino)-1-ethenyliminopropan-2-ylidene]tungsten;methane
SMILESC.[H]/[C-]=C/N=C(\C(C)=[W])N(C)C
InChIInChI=1S/C7H11N2.CH4.W/c1-5-7(8-6-2)9(3)4;;/h2,6H,1,3-4H3;1H4;/q-1;;/b8-7+;;
InChIKeyXGQDMKSCPLSWTF-MIIBGCIDSA-N
XLogP1.27
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.06
LogP ≤ 51.27
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'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1,1-Dimethyl-2-propylimidazol-1-ium iodide
CID 23451453
N-ethenyl-N'-methyl-N-propylpropanimidamide
CID 90299348
N'-ethenyl-N,N-dimethylpropanimidamide
CID 117626263
N'-butyl-N-ethenyl-N,2,2-trimethylpropanimidamide
CID 129095407
1,1-Dimethyl-2-propylimidazol-1-ium bromide
CID 130421729
N-ethenyl-N,N'-dimethylpropanimidamide
CID 134554083
1-ethenyl-N,3-dimethylpyrazin-2-imine
CID 135176233
N'-ethenyl-N,N,2,2-tetramethylpropanimidamide
CID 135181578
N,N'-bis(ethenyl)-N,2,2-trimethylpropanimidamide
CID 139497574
N'-ethenyl-N,N,2-trimethylpropanimidamide
CID 142276539
N'-ethenyl-N-ethyl-N-methylpropanimidamide
CID 143693602
ethane;1-ethenyl-N,3-dimethylpyrazin-2-imine
CID 144307833

Frequently Asked Questions

What is the IUPAC name of [1-(dimethylamino)-1-ethenyliminopropan-2-ylidene]tungsten;methane?
The IUPAC name of [1-(dimethylamino)-1-ethenyliminopropan-2-ylidene]tungsten;methane (CID 161225829) is [1-(dimethylamino)-1-ethenyliminopropan-2-ylidene]tungsten;methane.
What is the SMILES notation for [1-(dimethylamino)-1-ethenyliminopropan-2-ylidene]tungsten;methane?
The canonical SMILES for [1-(dimethylamino)-1-ethenyliminopropan-2-ylidene]tungsten;methane is C.[H]/[C-]=C/N=C(\C(C)=[W])N(C)C.
What is the InChIKey of [1-(dimethylamino)-1-ethenyliminopropan-2-ylidene]tungsten;methane?
The InChIKey is XGQDMKSCPLSWTF-MIIBGCIDSA-N. The full InChI is InChI=1S/C7H11N2.CH4.W/c1-5-7(8-6-2)9(3)4;;/h2,6H,1,3-4H3;1H4;/q-1;;/b8-7+;;.
What are the key properties of [1-(dimethylamino)-1-ethenyliminopropan-2-ylidene]tungsten;methane?
[1-(dimethylamino)-1-ethenyliminopropan-2-ylidene]tungsten;methane has a molecular weight of 323.06 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(dimethylamino)-1-ethenyliminopropan-2-ylidene]tungsten;methane is sourced from PubChem (CID 161225829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).