3-[tert-butyl(ethyl)amino]pent-4-enylidenetungsten

C11H21NW — CID 58828839

IUPAC3-[tert-butyl(ethyl)amino]pent-4-enylidenetungsten
SMILESC=CC(CC=[W])N(CC)C(C)(C)C
InChIInChI=1S/C11H21N.W/c1-7-10(8-2)12(9-3)11(4,5)6;/h1,8,10H,2,7,9H2,3-6H3;
InChIKeyIATCRQOOKAXVNK-UHFFFAOYSA-N
MW351.14 g/mol
LogP2.40
Rot. Bonds5

About 3-[tert-butyl(ethyl)amino]pent-4-enylidenetungsten

3-[tert-butyl(ethyl)amino]pent-4-enylidenetungsten (PubChem CID 58828839) has the molecular formula C11H21NW and a molecular weight of 351.14 g/mol. Its IUPAC name is 3-[tert-butyl(ethyl)amino]pent-4-enylidenetungsten.

Molecular Properties

Compound Name3-[tert-butyl(ethyl)amino]pent-4-enylidenetungsten
PubChem CID58828839
Molecular FormulaC11H21NW
Molecular Weight351.14 g/mol
Exact Mass351.12
IUPAC Name3-[tert-butyl(ethyl)amino]pent-4-enylidenetungsten
SMILESC=CC(CC=[W])N(CC)C(C)(C)C
InChIInChI=1S/C11H21N.W/c1-7-10(8-2)12(9-3)11(4,5)6;/h1,8,10H,2,7,9H2,3-6H3;
InChIKeyIATCRQOOKAXVNK-UHFFFAOYSA-N
XLogP2.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.14
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(ethyl)amino]pent-4-enylidenetungsten?
The IUPAC name of 3-[tert-butyl(ethyl)amino]pent-4-enylidenetungsten (CID 58828839) is 3-[tert-butyl(ethyl)amino]pent-4-enylidenetungsten.
What is the SMILES notation for 3-[tert-butyl(ethyl)amino]pent-4-enylidenetungsten?
The canonical SMILES for 3-[tert-butyl(ethyl)amino]pent-4-enylidenetungsten is C=CC(CC=[W])N(CC)C(C)(C)C.
What is the InChIKey of 3-[tert-butyl(ethyl)amino]pent-4-enylidenetungsten?
The InChIKey is IATCRQOOKAXVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N.W/c1-7-10(8-2)12(9-3)11(4,5)6;/h1,8,10H,2,7,9H2,3-6H3;.
What are the key properties of 3-[tert-butyl(ethyl)amino]pent-4-enylidenetungsten?
3-[tert-butyl(ethyl)amino]pent-4-enylidenetungsten has a molecular weight of 351.14 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(ethyl)amino]pent-4-enylidenetungsten is sourced from PubChem (CID 58828839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).