N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]propan-1-amine

C21H31NOSi — CID 58080170

IUPACN-[2-[tert-butyl(diphenyl)silyl]oxyethyl]propan-1-amine
SMILESCCCNCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C21H31NOSi/c1-5-16-22-17-18-23-24(21(2,3)4,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,22H,5,16-18H2,1-4H3
InChIKeyJLDFPFPKCSZANQ-UHFFFAOYSA-N
MW341.57 g/mol
LogP3.56
Rot. Bonds8

About N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]propan-1-amine

N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]propan-1-amine (PubChem CID 58080170) has the molecular formula C21H31NOSi and a molecular weight of 341.57 g/mol. Its IUPAC name is N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[tert-butyl(diphenyl)silyl]oxyethyl]propan-1-amine
PubChem CID58080170
Molecular FormulaC21H31NOSi
Molecular Weight341.57 g/mol
Exact Mass341.22
IUPAC NameN-[2-[tert-butyl(diphenyl)silyl]oxyethyl]propan-1-amine
SMILESCCCNCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C21H31NOSi/c1-5-16-22-17-18-23-24(21(2,3)4,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,22H,5,16-18H2,1-4H3
InChIKeyJLDFPFPKCSZANQ-UHFFFAOYSA-N
XLogP3.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.57
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]propan-1-amine?
The IUPAC name of N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]propan-1-amine (CID 58080170) is N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]propan-1-amine.
What is the SMILES notation for N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]propan-1-amine?
The canonical SMILES for N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]propan-1-amine is CCCNCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]propan-1-amine?
The InChIKey is JLDFPFPKCSZANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31NOSi/c1-5-16-22-17-18-23-24(21(2,3)4,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,22H,5,16-18H2,1-4H3.
What are the key properties of N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]propan-1-amine?
N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]propan-1-amine has a molecular weight of 341.57 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]propan-1-amine is sourced from PubChem (CID 58080170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).