N-tert-butyl-4-trimethylsilyl-3-(trimethylsilylmethyl)but-2-en-1-imine

C15H33NSi2 — CID 2733562

IUPACN-tert-butyl-4-trimethylsilyl-3-(trimethylsilylmethyl)but-2-en-1-imine
SMILESCC(C)(C)/N=C/C=C(C[Si](C)(C)C)C[Si](C)(C)C
InChIInChI=1S/C15H33NSi2/c1-15(2,3)16-11-10-14(12-17(4,5)6)13-18(7,8)9/h10-11H,12-13H2,1-9H3/b16-11+
InChIKeyNVBMMLITVVTKEI-LFIBNONCSA-N
MW283.61 g/mol
LogP5.46
Rot. Bonds5

About N-tert-butyl-4-trimethylsilyl-3-(trimethylsilylmethyl)but-2-en-1-imine

N-tert-butyl-4-trimethylsilyl-3-(trimethylsilylmethyl)but-2-en-1-imine (PubChem CID 2733562) has the molecular formula C15H33NSi2 and a molecular weight of 283.61 g/mol. Its IUPAC name is N-tert-butyl-4-trimethylsilyl-3-(trimethylsilylmethyl)but-2-en-1-imine.

Molecular Properties

Compound NameN-tert-butyl-4-trimethylsilyl-3-(trimethylsilylmethyl)but-2-en-1-imine
PubChem CID2733562
Molecular FormulaC15H33NSi2
Molecular Weight283.61 g/mol
Exact Mass283.22
IUPAC NameN-tert-butyl-4-trimethylsilyl-3-(trimethylsilylmethyl)but-2-en-1-imine
SMILESCC(C)(C)/N=C/C=C(C[Si](C)(C)C)C[Si](C)(C)C
InChIInChI=1S/C15H33NSi2/c1-15(2,3)16-11-10-14(12-17(4,5)6)13-18(7,8)9/h10-11H,12-13H2,1-9H3/b16-11+
InChIKeyNVBMMLITVVTKEI-LFIBNONCSA-N
XLogP5.46
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.61
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 N-tert-butyl-4-trimethylsilyl-3-(trimethylsilylmethyl)but-2-en-1-imine?
The IUPAC name of N-tert-butyl-4-trimethylsilyl-3-(trimethylsilylmethyl)but-2-en-1-imine (CID 2733562) is N-tert-butyl-4-trimethylsilyl-3-(trimethylsilylmethyl)but-2-en-1-imine.
What is the SMILES notation for N-tert-butyl-4-trimethylsilyl-3-(trimethylsilylmethyl)but-2-en-1-imine?
The canonical SMILES for N-tert-butyl-4-trimethylsilyl-3-(trimethylsilylmethyl)but-2-en-1-imine is CC(C)(C)/N=C/C=C(C[Si](C)(C)C)C[Si](C)(C)C.
What is the InChIKey of N-tert-butyl-4-trimethylsilyl-3-(trimethylsilylmethyl)but-2-en-1-imine?
The InChIKey is NVBMMLITVVTKEI-LFIBNONCSA-N. The full InChI is InChI=1S/C15H33NSi2/c1-15(2,3)16-11-10-14(12-17(4,5)6)13-18(7,8)9/h10-11H,12-13H2,1-9H3/b16-11+.
What are the key properties of N-tert-butyl-4-trimethylsilyl-3-(trimethylsilylmethyl)but-2-en-1-imine?
N-tert-butyl-4-trimethylsilyl-3-(trimethylsilylmethyl)but-2-en-1-imine has a molecular weight of 283.61 g/mol, XLogP of 5.46, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-trimethylsilyl-3-(trimethylsilylmethyl)but-2-en-1-imine is sourced from PubChem (CID 2733562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).