1-[3-methylbut-1-enyl(propan-2-yl)amino]ethylidenetungsten;tungsten

C10H18NW7- — CID 20755180

IUPAC1-[3-methylbut-1-enyl(propan-2-yl)amino]ethylidenetungsten;tungsten
SMILESCC(=[W])N(/C=[C-]/C(C)C)C(C)C.[W].[W].[W].[W].[W].[W]
InChIInChI=1S/C10H18N.7W/c1-6-11(10(4)5)8-7-9(2)3;;;;;;;/h8-10H,1-5H3;;;;;;;/q-1;;;;;;;
InChIKeyWNRLEJLMFXBUGH-UHFFFAOYSA-N
MW1439.14 g/mol
LogP2.35
Rot. Bonds4

About 1-[3-methylbut-1-enyl(propan-2-yl)amino]ethylidenetungsten;tungsten

1-[3-methylbut-1-enyl(propan-2-yl)amino]ethylidenetungsten;tungsten (PubChem CID 20755180) has the molecular formula C10H18NW7- and a molecular weight of 1439.14 g/mol. Its IUPAC name is 1-[3-methylbut-1-enyl(propan-2-yl)amino]ethylidenetungsten;tungsten.

Molecular Properties

Compound Name1-[3-methylbut-1-enyl(propan-2-yl)amino]ethylidenetungsten;tungsten
PubChem CID20755180
Molecular FormulaC10H18NW7-
Molecular Weight1439.14 g/mol
Exact Mass1439.80
IUPAC Name1-[3-methylbut-1-enyl(propan-2-yl)amino]ethylidenetungsten;tungsten
SMILESCC(=[W])N(/C=[C-]/C(C)C)C(C)C.[W].[W].[W].[W].[W].[W]
InChIInChI=1S/C10H18N.7W/c1-6-11(10(4)5)8-7-9(2)3;;;;;;;/h8-10H,1-5H3;;;;;;;/q-1;;;;;;;
InChIKeyWNRLEJLMFXBUGH-UHFFFAOYSA-N
XLogP2.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001439.14
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-methylbut-1-enyl(propan-2-yl)amino]ethylidenetungsten;tungsten?
The IUPAC name of 1-[3-methylbut-1-enyl(propan-2-yl)amino]ethylidenetungsten;tungsten (CID 20755180) is 1-[3-methylbut-1-enyl(propan-2-yl)amino]ethylidenetungsten;tungsten.
What is the SMILES notation for 1-[3-methylbut-1-enyl(propan-2-yl)amino]ethylidenetungsten;tungsten?
The canonical SMILES for 1-[3-methylbut-1-enyl(propan-2-yl)amino]ethylidenetungsten;tungsten is CC(=[W])N(/C=[C-]/C(C)C)C(C)C.[W].[W].[W].[W].[W].[W].
What is the InChIKey of 1-[3-methylbut-1-enyl(propan-2-yl)amino]ethylidenetungsten;tungsten?
The InChIKey is WNRLEJLMFXBUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N.7W/c1-6-11(10(4)5)8-7-9(2)3;;;;;;;/h8-10H,1-5H3;;;;;;;/q-1;;;;;;;.
What are the key properties of 1-[3-methylbut-1-enyl(propan-2-yl)amino]ethylidenetungsten;tungsten?
1-[3-methylbut-1-enyl(propan-2-yl)amino]ethylidenetungsten;tungsten has a molecular weight of 1439.14 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methylbut-1-enyl(propan-2-yl)amino]ethylidenetungsten;tungsten is sourced from PubChem (CID 20755180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).