N-ethyl-1-phenyl-3-trimethylsilylprop-2-yn-1-imine

C14H19NSi — CID 11831225

IUPACN-ethyl-1-phenyl-3-trimethylsilylprop-2-yn-1-imine
SMILESCC/N=C(\C#C[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C14H19NSi/c1-5-15-14(11-12-16(2,3)4)13-9-7-6-8-10-13/h6-10H,5H2,1-4H3/b15-14+
InChIKeyUXTGCYBQBGDLAN-CCEZHUSRSA-N
MW229.40 g/mol
LogP3.38
Rot. Bonds2

About N-ethyl-1-phenyl-3-trimethylsilylprop-2-yn-1-imine

N-ethyl-1-phenyl-3-trimethylsilylprop-2-yn-1-imine (PubChem CID 11831225) has the molecular formula C14H19NSi and a molecular weight of 229.40 g/mol. Its IUPAC name is N-ethyl-1-phenyl-3-trimethylsilylprop-2-yn-1-imine.

Molecular Properties

Compound NameN-ethyl-1-phenyl-3-trimethylsilylprop-2-yn-1-imine
PubChem CID11831225
Molecular FormulaC14H19NSi
Molecular Weight229.40 g/mol
Exact Mass229.13
IUPAC NameN-ethyl-1-phenyl-3-trimethylsilylprop-2-yn-1-imine
SMILESCC/N=C(\C#C[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C14H19NSi/c1-5-15-14(11-12-16(2,3)4)13-9-7-6-8-10-13/h6-10H,5H2,1-4H3/b15-14+
InChIKeyUXTGCYBQBGDLAN-CCEZHUSRSA-N
XLogP3.38
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.40
LogP ≤ 53.38
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-Methyl-1-phenylethan-1-imine
CID 576474
(4,4-Difluoro-5-phenyl-2,3-dihydropyrrol-2-yl)-trimethylsilane
CID 11747154
2-fluoro-1-phenyl-N-propan-2-ylpropan-1-imine
CID 12869998
N-tert-butyl-1-(4-fluoro-2-triethylsilylphenyl)methanimine
CID 85906585
N-butyl-2-fluoro-1-phenylethanimine
CID 101419521
(E)-N-[tert-butyl(dimethyl)silyl]-1-phenylmethanimine
CID 10943979
(E)-1-phenyl-N-tri(propan-2-yl)silylmethanimine
CID 15339559
acetophenone N-propylimine
CID 2755403
N-(a-Methylbenzylidene)isopropylamine
CID 10351976
1-(4-methylphenyl)-N-propylethanimine
CID 10856003
N-methyl-1-(2-trimethylsilylphenyl)methanimine
CID 10921350
1-[2,6-bis(trimethylsilyl)phenyl]-N-methylmethanimine
CID 10945284

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-phenyl-3-trimethylsilylprop-2-yn-1-imine?
The IUPAC name of N-ethyl-1-phenyl-3-trimethylsilylprop-2-yn-1-imine (CID 11831225) is N-ethyl-1-phenyl-3-trimethylsilylprop-2-yn-1-imine.
What is the SMILES notation for N-ethyl-1-phenyl-3-trimethylsilylprop-2-yn-1-imine?
The canonical SMILES for N-ethyl-1-phenyl-3-trimethylsilylprop-2-yn-1-imine is CC/N=C(\C#C[Si](C)(C)C)c1ccccc1.
What is the InChIKey of N-ethyl-1-phenyl-3-trimethylsilylprop-2-yn-1-imine?
The InChIKey is UXTGCYBQBGDLAN-CCEZHUSRSA-N. The full InChI is InChI=1S/C14H19NSi/c1-5-15-14(11-12-16(2,3)4)13-9-7-6-8-10-13/h6-10H,5H2,1-4H3/b15-14+.
What are the key properties of N-ethyl-1-phenyl-3-trimethylsilylprop-2-yn-1-imine?
N-ethyl-1-phenyl-3-trimethylsilylprop-2-yn-1-imine has a molecular weight of 229.40 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-phenyl-3-trimethylsilylprop-2-yn-1-imine is sourced from PubChem (CID 11831225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).