N-tert-butyl-4-trimethylsilylbut-2-en-1-imine

C11H23NSi — CID 2733561

IUPACN-tert-butyl-4-trimethylsilylbut-2-en-1-imine
SMILESCC(C)(C)/N=C/C=CC[Si](C)(C)C
InChIInChI=1S/C11H23NSi/c1-11(2,3)12-9-7-8-10-13(4,5)6/h7-9H,10H2,1-6H3/b8-7?,12-9+
InChIKeyYXVYWUJNEPUHPT-RNUTYLDYSA-N
MW197.40 g/mol
LogP3.75
Rot. Bonds3

About N-tert-butyl-4-trimethylsilylbut-2-en-1-imine

N-tert-butyl-4-trimethylsilylbut-2-en-1-imine (PubChem CID 2733561) has the molecular formula C11H23NSi and a molecular weight of 197.40 g/mol. Its IUPAC name is N-tert-butyl-4-trimethylsilylbut-2-en-1-imine.

Molecular Properties

Compound NameN-tert-butyl-4-trimethylsilylbut-2-en-1-imine
PubChem CID2733561
Molecular FormulaC11H23NSi
Molecular Weight197.40 g/mol
Exact Mass197.16
IUPAC NameN-tert-butyl-4-trimethylsilylbut-2-en-1-imine
SMILESCC(C)(C)/N=C/C=CC[Si](C)(C)C
InChIInChI=1S/C11H23NSi/c1-11(2,3)12-9-7-8-10-13(4,5)6/h7-9H,10H2,1-6H3/b8-7?,12-9+
InChIKeyYXVYWUJNEPUHPT-RNUTYLDYSA-N
XLogP3.75
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.40
LogP ≤ 53.75
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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Related Compounds

(E)-3-[ditert-butyl(fluoro)silyl]-N-methylprop-2-en-1-imine
CID 173659591
(E,E)-N-(trimethylsilylmethyl)but-2-en-1-imine
CID 13287313
(E)-N-[tert-butyl(dimethyl)silyl]prop-2-en-1-imine
CID 14082206
N-t-butyl-2,4-bis(trimethylsilyl)-3-buten-1-imine
CID 85295665
(Z)-N-(2-methylbutan-2-yl)but-2-en-1-imine
CID 134384332
N-tert-butyl-4-trimethylsilyl-3-(trimethylsilylmethyl)but-2-en-1-imine
CID 2733562
N-tert-butyl-3-methyl-4-trimethylsilylbut-2-en-1-imine
CID 2733575
(E)-N-tert-butyl-4-trimethylsilylbut-2-en-1-imine
CID 5702558
(2E,4E)-N-tert-butyl-6-trimethylsilylhexa-2,4-dien-1-imine
CID 5702562
(E)-N-tert-butyl-3-methyl-4-trimethylsilylbut-2-en-1-imine
CID 5702563
(E)-N-tert-butyl-2,4-bis(trimethylsilyl)but-3-en-1-imine
CID 10869320
(E,E)-N-[bis(trimethylsilyl)methyl]-3-trimethylsilylprop-2-en-1-imine
CID 10935020

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-trimethylsilylbut-2-en-1-imine?
The IUPAC name of N-tert-butyl-4-trimethylsilylbut-2-en-1-imine (CID 2733561) is N-tert-butyl-4-trimethylsilylbut-2-en-1-imine.
What is the SMILES notation for N-tert-butyl-4-trimethylsilylbut-2-en-1-imine?
The canonical SMILES for N-tert-butyl-4-trimethylsilylbut-2-en-1-imine is CC(C)(C)/N=C/C=CC[Si](C)(C)C.
What is the InChIKey of N-tert-butyl-4-trimethylsilylbut-2-en-1-imine?
The InChIKey is YXVYWUJNEPUHPT-RNUTYLDYSA-N. The full InChI is InChI=1S/C11H23NSi/c1-11(2,3)12-9-7-8-10-13(4,5)6/h7-9H,10H2,1-6H3/b8-7?,12-9+.
What are the key properties of N-tert-butyl-4-trimethylsilylbut-2-en-1-imine?
N-tert-butyl-4-trimethylsilylbut-2-en-1-imine has a molecular weight of 197.40 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-trimethylsilylbut-2-en-1-imine is sourced from PubChem (CID 2733561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).