2-N,3-N-bis[tert-butyl(dimethyl)silyl]butane-2,3-diimine

C16H36N2Si2 — CID 139920628

IUPAC2-N,3-N-bis[tert-butyl(dimethyl)silyl]butane-2,3-diimine
SMILESCC(=N[Si](C)(C)C(C)(C)C)C(C)=N[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H36N2Si2/c1-13(17-19(9,10)15(3,4)5)14(2)18-20(11,12)16(6,7)8/h1-12H3
InChIKeyQKVWOIJKAVWTTF-UHFFFAOYSA-N
MW312.65 g/mol
LogP5.92
Rot. Bonds3

About 2-N,3-N-bis[tert-butyl(dimethyl)silyl]butane-2,3-diimine

2-N,3-N-bis[tert-butyl(dimethyl)silyl]butane-2,3-diimine (PubChem CID 139920628) has the molecular formula C16H36N2Si2 and a molecular weight of 312.65 g/mol. Its IUPAC name is 2-N,3-N-bis[tert-butyl(dimethyl)silyl]butane-2,3-diimine.

Molecular Properties

Compound Name2-N,3-N-bis[tert-butyl(dimethyl)silyl]butane-2,3-diimine
PubChem CID139920628
Molecular FormulaC16H36N2Si2
Molecular Weight312.65 g/mol
Exact Mass312.24
IUPAC Name2-N,3-N-bis[tert-butyl(dimethyl)silyl]butane-2,3-diimine
SMILESCC(=N[Si](C)(C)C(C)(C)C)C(C)=N[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H36N2Si2/c1-13(17-19(9,10)15(3,4)5)14(2)18-20(11,12)16(6,7)8/h1-12H3
InChIKeyQKVWOIJKAVWTTF-UHFFFAOYSA-N
XLogP5.92
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.65
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N,3-N-bis[tert-butyl(dimethyl)silyl]butane-2,3-diimine?
The IUPAC name of 2-N,3-N-bis[tert-butyl(dimethyl)silyl]butane-2,3-diimine (CID 139920628) is 2-N,3-N-bis[tert-butyl(dimethyl)silyl]butane-2,3-diimine.
What is the SMILES notation for 2-N,3-N-bis[tert-butyl(dimethyl)silyl]butane-2,3-diimine?
The canonical SMILES for 2-N,3-N-bis[tert-butyl(dimethyl)silyl]butane-2,3-diimine is CC(=N[Si](C)(C)C(C)(C)C)C(C)=N[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-N,3-N-bis[tert-butyl(dimethyl)silyl]butane-2,3-diimine?
The InChIKey is QKVWOIJKAVWTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2Si2/c1-13(17-19(9,10)15(3,4)5)14(2)18-20(11,12)16(6,7)8/h1-12H3.
What are the key properties of 2-N,3-N-bis[tert-butyl(dimethyl)silyl]butane-2,3-diimine?
2-N,3-N-bis[tert-butyl(dimethyl)silyl]butane-2,3-diimine has a molecular weight of 312.65 g/mol, XLogP of 5.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-N-bis[tert-butyl(dimethyl)silyl]butane-2,3-diimine is sourced from PubChem (CID 139920628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).