3-[(3-aminopropyl-methyl-phenylsilyl)oxy-methyl-phenylsilyl]propan-1-amine

C20H32N2OSi2 — CID 21285292

IUPAC3-[(3-aminopropyl-methyl-phenylsilyl)oxy-methyl-phenylsilyl]propan-1-amine
SMILESC[Si](CCCN)(O[Si](C)(CCCN)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H32N2OSi2/c1-24(17-9-15-21,19-11-5-3-6-12-19)23-25(2,18-10-16-22)20-13-7-4-8-14-20/h3-8,11-14H,9-10,15-18,21-22H2,1-2H3
InChIKeyADMRIZXRVIRWCR-UHFFFAOYSA-N
MW372.66 g/mol
LogP2.67
Rot. Bonds10

About 3-[(3-aminopropyl-methyl-phenylsilyl)oxy-methyl-phenylsilyl]propan-1-amine

3-[(3-aminopropyl-methyl-phenylsilyl)oxy-methyl-phenylsilyl]propan-1-amine (PubChem CID 21285292) has the molecular formula C20H32N2OSi2 and a molecular weight of 372.66 g/mol. Its IUPAC name is 3-[(3-aminopropyl-methyl-phenylsilyl)oxy-methyl-phenylsilyl]propan-1-amine.

Molecular Properties

Compound Name3-[(3-aminopropyl-methyl-phenylsilyl)oxy-methyl-phenylsilyl]propan-1-amine
PubChem CID21285292
Molecular FormulaC20H32N2OSi2
Molecular Weight372.66 g/mol
Exact Mass372.21
IUPAC Name3-[(3-aminopropyl-methyl-phenylsilyl)oxy-methyl-phenylsilyl]propan-1-amine
SMILESC[Si](CCCN)(O[Si](C)(CCCN)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H32N2OSi2/c1-24(17-9-15-21,19-11-5-3-6-12-19)23-25(2,18-10-16-22)20-13-7-4-8-14-20/h3-8,11-14H,9-10,15-18,21-22H2,1-2H3
InChIKeyADMRIZXRVIRWCR-UHFFFAOYSA-N
XLogP2.67
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.66
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-aminopropyl-methyl-phenylsilyl)oxy-methyl-phenylsilyl]propan-1-amine?
The IUPAC name of 3-[(3-aminopropyl-methyl-phenylsilyl)oxy-methyl-phenylsilyl]propan-1-amine (CID 21285292) is 3-[(3-aminopropyl-methyl-phenylsilyl)oxy-methyl-phenylsilyl]propan-1-amine.
What is the SMILES notation for 3-[(3-aminopropyl-methyl-phenylsilyl)oxy-methyl-phenylsilyl]propan-1-amine?
The canonical SMILES for 3-[(3-aminopropyl-methyl-phenylsilyl)oxy-methyl-phenylsilyl]propan-1-amine is C[Si](CCCN)(O[Si](C)(CCCN)c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[(3-aminopropyl-methyl-phenylsilyl)oxy-methyl-phenylsilyl]propan-1-amine?
The InChIKey is ADMRIZXRVIRWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2OSi2/c1-24(17-9-15-21,19-11-5-3-6-12-19)23-25(2,18-10-16-22)20-13-7-4-8-14-20/h3-8,11-14H,9-10,15-18,21-22H2,1-2H3.
What are the key properties of 3-[(3-aminopropyl-methyl-phenylsilyl)oxy-methyl-phenylsilyl]propan-1-amine?
3-[(3-aminopropyl-methyl-phenylsilyl)oxy-methyl-phenylsilyl]propan-1-amine has a molecular weight of 372.66 g/mol, XLogP of 2.67, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-aminopropyl-methyl-phenylsilyl)oxy-methyl-phenylsilyl]propan-1-amine is sourced from PubChem (CID 21285292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).