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

C14H31NSi2 — CID 85295665

IUPACN-tert-butyl-2,4-bis(trimethylsilyl)but-3-en-1-imine
SMILESCC(C)(C)/N=C/C(C=C[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C14H31NSi2/c1-14(2,3)15-12-13(17(7,8)9)10-11-16(4,5)6/h10-13H,1-9H3/b11-10?,15-12+
InChIKeyVLWJIKKHKMCBMX-ODDDKGJZSA-N
MW269.58 g/mol
LogP5.00
Rot. Bonds4

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

N-tert-butyl-2,4-bis(trimethylsilyl)but-3-en-1-imine (PubChem CID 85295665) has the molecular formula C14H31NSi2 and a molecular weight of 269.58 g/mol. Its IUPAC name is N-tert-butyl-2,4-bis(trimethylsilyl)but-3-en-1-imine.

Molecular Properties

Compound NameN-tert-butyl-2,4-bis(trimethylsilyl)but-3-en-1-imine
PubChem CID85295665
Molecular FormulaC14H31NSi2
Molecular Weight269.58 g/mol
Exact Mass269.20
IUPAC NameN-tert-butyl-2,4-bis(trimethylsilyl)but-3-en-1-imine
SMILESCC(C)(C)/N=C/C(C=C[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C14H31NSi2/c1-14(2,3)15-12-13(17(7,8)9)10-11-16(4,5)6/h10-13H,1-9H3/b11-10?,15-12+
InChIKeyVLWJIKKHKMCBMX-ODDDKGJZSA-N
XLogP5.00
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.58
LogP ≤ 55.00
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-2,4-bis(trimethylsilyl)but-3-en-1-imine?
The IUPAC name of N-tert-butyl-2,4-bis(trimethylsilyl)but-3-en-1-imine (CID 85295665) is N-tert-butyl-2,4-bis(trimethylsilyl)but-3-en-1-imine.
What is the SMILES notation for N-tert-butyl-2,4-bis(trimethylsilyl)but-3-en-1-imine?
The canonical SMILES for N-tert-butyl-2,4-bis(trimethylsilyl)but-3-en-1-imine is CC(C)(C)/N=C/C(C=C[Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of N-tert-butyl-2,4-bis(trimethylsilyl)but-3-en-1-imine?
The InChIKey is VLWJIKKHKMCBMX-ODDDKGJZSA-N. The full InChI is InChI=1S/C14H31NSi2/c1-14(2,3)15-12-13(17(7,8)9)10-11-16(4,5)6/h10-13H,1-9H3/b11-10?,15-12+.
What are the key properties of N-tert-butyl-2,4-bis(trimethylsilyl)but-3-en-1-imine?
N-tert-butyl-2,4-bis(trimethylsilyl)but-3-en-1-imine has a molecular weight of 269.58 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2,4-bis(trimethylsilyl)but-3-en-1-imine is sourced from PubChem (CID 85295665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).