3-(2,2,6,6-tetraphenyloxasilinan-5-yl)propan-1-amine

C31H33NOSi — CID 70180494

IUPAC3-(2,2,6,6-tetraphenyloxasilinan-5-yl)propan-1-amine
SMILESNCCCC1CC[Si](c2ccccc2)(c2ccccc2)OC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H33NOSi/c32-24-13-18-28-23-25-34(29-19-9-3-10-20-29,30-21-11-4-12-22-30)33-31(28,26-14-5-1-6-15-26)27-16-7-2-8-17-27/h1-12,14-17,19-22,28H,13,18,23-25,32H2
InChIKeyBUBOWCSRYDXJMT-UHFFFAOYSA-N
MW463.70 g/mol
LogP5.47
Rot. Bonds7

About 3-(2,2,6,6-tetraphenyloxasilinan-5-yl)propan-1-amine

3-(2,2,6,6-tetraphenyloxasilinan-5-yl)propan-1-amine (PubChem CID 70180494) has the molecular formula C31H33NOSi and a molecular weight of 463.70 g/mol. Its IUPAC name is 3-(2,2,6,6-tetraphenyloxasilinan-5-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2,2,6,6-tetraphenyloxasilinan-5-yl)propan-1-amine
PubChem CID70180494
Molecular FormulaC31H33NOSi
Molecular Weight463.70 g/mol
Exact Mass463.23
IUPAC Name3-(2,2,6,6-tetraphenyloxasilinan-5-yl)propan-1-amine
SMILESNCCCC1CC[Si](c2ccccc2)(c2ccccc2)OC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H33NOSi/c32-24-13-18-28-23-25-34(29-19-9-3-10-20-29,30-21-11-4-12-22-30)33-31(28,26-14-5-1-6-15-26)27-16-7-2-8-17-27/h1-12,14-17,19-22,28H,13,18,23-25,32H2
InChIKeyBUBOWCSRYDXJMT-UHFFFAOYSA-N
XLogP5.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.70
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(2,2,6,6-tetraphenyloxasilinan-5-yl)propan-1-amine?
The IUPAC name of 3-(2,2,6,6-tetraphenyloxasilinan-5-yl)propan-1-amine (CID 70180494) is 3-(2,2,6,6-tetraphenyloxasilinan-5-yl)propan-1-amine.
What is the SMILES notation for 3-(2,2,6,6-tetraphenyloxasilinan-5-yl)propan-1-amine?
The canonical SMILES for 3-(2,2,6,6-tetraphenyloxasilinan-5-yl)propan-1-amine is NCCCC1CC[Si](c2ccccc2)(c2ccccc2)OC1(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-(2,2,6,6-tetraphenyloxasilinan-5-yl)propan-1-amine?
The InChIKey is BUBOWCSRYDXJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33NOSi/c32-24-13-18-28-23-25-34(29-19-9-3-10-20-29,30-21-11-4-12-22-30)33-31(28,26-14-5-1-6-15-26)27-16-7-2-8-17-27/h1-12,14-17,19-22,28H,13,18,23-25,32H2.
What are the key properties of 3-(2,2,6,6-tetraphenyloxasilinan-5-yl)propan-1-amine?
3-(2,2,6,6-tetraphenyloxasilinan-5-yl)propan-1-amine has a molecular weight of 463.70 g/mol, XLogP of 5.47, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,6,6-tetraphenyloxasilinan-5-yl)propan-1-amine is sourced from PubChem (CID 70180494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).