(2S)-2-[benzyl(trimethylsilylmethyl)amino]propanal

C14H23NOSi — CID 11032275

IUPAC(2S)-2-[benzyl(trimethylsilylmethyl)amino]propanal
SMILESC[C@@H](C=O)N(Cc1ccccc1)C[Si](C)(C)C
InChIInChI=1S/C14H23NOSi/c1-13(11-16)15(12-17(2,3)4)10-14-8-6-5-7-9-14/h5-9,11,13H,10,12H2,1-4H3/t13-/m0/s1
InChIKeyILOXUMNYHJZTLV-ZDUSSCGKSA-N
MW249.43 g/mol
LogP2.95
Rot. Bonds6

About (2S)-2-[benzyl(trimethylsilylmethyl)amino]propanal

(2S)-2-[benzyl(trimethylsilylmethyl)amino]propanal (PubChem CID 11032275) has the molecular formula C14H23NOSi and a molecular weight of 249.43 g/mol. Its IUPAC name is (2S)-2-[benzyl(trimethylsilylmethyl)amino]propanal.

Molecular Properties

Compound Name(2S)-2-[benzyl(trimethylsilylmethyl)amino]propanal
PubChem CID11032275
Molecular FormulaC14H23NOSi
Molecular Weight249.43 g/mol
Exact Mass249.15
IUPAC Name(2S)-2-[benzyl(trimethylsilylmethyl)amino]propanal
SMILESC[C@@H](C=O)N(Cc1ccccc1)C[Si](C)(C)C
InChIInChI=1S/C14H23NOSi/c1-13(11-16)15(12-17(2,3)4)10-14-8-6-5-7-9-14/h5-9,11,13H,10,12H2,1-4H3/t13-/m0/s1
InChIKeyILOXUMNYHJZTLV-ZDUSSCGKSA-N
XLogP2.95
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.43
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[benzyl(trimethylsilylmethyl)amino]propanal?
The IUPAC name of (2S)-2-[benzyl(trimethylsilylmethyl)amino]propanal (CID 11032275) is (2S)-2-[benzyl(trimethylsilylmethyl)amino]propanal.
What is the SMILES notation for (2S)-2-[benzyl(trimethylsilylmethyl)amino]propanal?
The canonical SMILES for (2S)-2-[benzyl(trimethylsilylmethyl)amino]propanal is C[C@@H](C=O)N(Cc1ccccc1)C[Si](C)(C)C.
What is the InChIKey of (2S)-2-[benzyl(trimethylsilylmethyl)amino]propanal?
The InChIKey is ILOXUMNYHJZTLV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H23NOSi/c1-13(11-16)15(12-17(2,3)4)10-14-8-6-5-7-9-14/h5-9,11,13H,10,12H2,1-4H3/t13-/m0/s1.
What are the key properties of (2S)-2-[benzyl(trimethylsilylmethyl)amino]propanal?
(2S)-2-[benzyl(trimethylsilylmethyl)amino]propanal has a molecular weight of 249.43 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[benzyl(trimethylsilylmethyl)amino]propanal is sourced from PubChem (CID 11032275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).