3-(2-aminoethylimino)-1-trimethylsilylbutan-1-one

C9H20N2OSi — CID 123268342

IUPAC3-(2-aminoethylimino)-1-trimethylsilylbutan-1-one
SMILESC/C(CC(=O)[Si](C)(C)C)=N\CCN
InChIInChI=1S/C9H20N2OSi/c1-8(11-6-5-10)7-9(12)13(2,3)4/h5-7,10H2,1-4H3/b11-8+
InChIKeyMCNUQGITDDDMKB-DHZHZOJOSA-N
MW200.36 g/mol
LogP1.24
Rot. Bonds5

About 3-(2-aminoethylimino)-1-trimethylsilylbutan-1-one

3-(2-aminoethylimino)-1-trimethylsilylbutan-1-one (PubChem CID 123268342) has the molecular formula C9H20N2OSi and a molecular weight of 200.36 g/mol. Its IUPAC name is 3-(2-aminoethylimino)-1-trimethylsilylbutan-1-one.

Molecular Properties

Compound Name3-(2-aminoethylimino)-1-trimethylsilylbutan-1-one
PubChem CID123268342
Molecular FormulaC9H20N2OSi
Molecular Weight200.36 g/mol
Exact Mass200.13
IUPAC Name3-(2-aminoethylimino)-1-trimethylsilylbutan-1-one
SMILESC/C(CC(=O)[Si](C)(C)C)=N\CCN
InChIInChI=1S/C9H20N2OSi/c1-8(11-6-5-10)7-9(12)13(2,3)4/h5-7,10H2,1-4H3/b11-8+
InChIKeyMCNUQGITDDDMKB-DHZHZOJOSA-N
XLogP1.24
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.36
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-(2-aminoethylimino)-1-trimethylsilylbutan-1-one?
The IUPAC name of 3-(2-aminoethylimino)-1-trimethylsilylbutan-1-one (CID 123268342) is 3-(2-aminoethylimino)-1-trimethylsilylbutan-1-one.
What is the SMILES notation for 3-(2-aminoethylimino)-1-trimethylsilylbutan-1-one?
The canonical SMILES for 3-(2-aminoethylimino)-1-trimethylsilylbutan-1-one is C/C(CC(=O)[Si](C)(C)C)=N\CCN.
What is the InChIKey of 3-(2-aminoethylimino)-1-trimethylsilylbutan-1-one?
The InChIKey is MCNUQGITDDDMKB-DHZHZOJOSA-N. The full InChI is InChI=1S/C9H20N2OSi/c1-8(11-6-5-10)7-9(12)13(2,3)4/h5-7,10H2,1-4H3/b11-8+.
What are the key properties of 3-(2-aminoethylimino)-1-trimethylsilylbutan-1-one?
3-(2-aminoethylimino)-1-trimethylsilylbutan-1-one has a molecular weight of 200.36 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethylimino)-1-trimethylsilylbutan-1-one is sourced from PubChem (CID 123268342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).