(2S)-2-[[aminomethyl(dihydroxy)silyl]methyl]-4-methylpentanal

C8H19NO3Si — CID 5494407

IUPAC(2S)-2-[[aminomethyl(dihydroxy)silyl]methyl]-4-methylpentanal
SMILESCC(C)C[C@@H](C=O)C[Si](O)(O)CN
InChIInChI=1S/C8H19NO3Si/c1-7(2)3-8(4-10)5-13(11,12)6-9/h4,7-8,11-12H,3,5-6,9H2,1-2H3/t8-/m0/s1
InChIKeyZZKRIEGAOOCWBS-QMMMGPOBSA-N
MW205.33 g/mol
LogP-0.23
Rot. Bonds6

About (2S)-2-[[aminomethyl(dihydroxy)silyl]methyl]-4-methylpentanal

(2S)-2-[[aminomethyl(dihydroxy)silyl]methyl]-4-methylpentanal (PubChem CID 5494407) has the molecular formula C8H19NO3Si and a molecular weight of 205.33 g/mol. Its IUPAC name is (2S)-2-[[aminomethyl(dihydroxy)silyl]methyl]-4-methylpentanal.

Molecular Properties

Compound Name(2S)-2-[[aminomethyl(dihydroxy)silyl]methyl]-4-methylpentanal
PubChem CID5494407
Molecular FormulaC8H19NO3Si
Molecular Weight205.33 g/mol
Exact Mass205.11
IUPAC Name(2S)-2-[[aminomethyl(dihydroxy)silyl]methyl]-4-methylpentanal
SMILESCC(C)C[C@@H](C=O)C[Si](O)(O)CN
InChIInChI=1S/C8H19NO3Si/c1-7(2)3-8(4-10)5-13(11,12)6-9/h4,7-8,11-12H,3,5-6,9H2,1-2H3/t8-/m0/s1
InChIKeyZZKRIEGAOOCWBS-QMMMGPOBSA-N
XLogP-0.23
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.33
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[[aminomethyl(dihydroxy)silyl]methyl]-4-methylpentanal?
The IUPAC name of (2S)-2-[[aminomethyl(dihydroxy)silyl]methyl]-4-methylpentanal (CID 5494407) is (2S)-2-[[aminomethyl(dihydroxy)silyl]methyl]-4-methylpentanal.
What is the SMILES notation for (2S)-2-[[aminomethyl(dihydroxy)silyl]methyl]-4-methylpentanal?
The canonical SMILES for (2S)-2-[[aminomethyl(dihydroxy)silyl]methyl]-4-methylpentanal is CC(C)C[C@@H](C=O)C[Si](O)(O)CN.
What is the InChIKey of (2S)-2-[[aminomethyl(dihydroxy)silyl]methyl]-4-methylpentanal?
The InChIKey is ZZKRIEGAOOCWBS-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H19NO3Si/c1-7(2)3-8(4-10)5-13(11,12)6-9/h4,7-8,11-12H,3,5-6,9H2,1-2H3/t8-/m0/s1.
What are the key properties of (2S)-2-[[aminomethyl(dihydroxy)silyl]methyl]-4-methylpentanal?
(2S)-2-[[aminomethyl(dihydroxy)silyl]methyl]-4-methylpentanal has a molecular weight of 205.33 g/mol, XLogP of -0.23, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[aminomethyl(dihydroxy)silyl]methyl]-4-methylpentanal is sourced from PubChem (CID 5494407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).