2-[tert-butyl(diphenyl)silyl]oxybutan-1-amine

C20H29NOSi — CID 123995909

IUPAC2-[tert-butyl(diphenyl)silyl]oxybutan-1-amine
SMILESCCC(CN)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C20H29NOSi/c1-5-17(16-21)22-23(20(2,3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16,21H2,1-4H3
InChIKeyXFEWFMNHEYTNTE-UHFFFAOYSA-N
MW327.54 g/mol
LogP3.30
Rot. Bonds6

About 2-[tert-butyl(diphenyl)silyl]oxybutan-1-amine

2-[tert-butyl(diphenyl)silyl]oxybutan-1-amine (PubChem CID 123995909) has the molecular formula C20H29NOSi and a molecular weight of 327.54 g/mol. Its IUPAC name is 2-[tert-butyl(diphenyl)silyl]oxybutan-1-amine.

Molecular Properties

Compound Name2-[tert-butyl(diphenyl)silyl]oxybutan-1-amine
PubChem CID123995909
Molecular FormulaC20H29NOSi
Molecular Weight327.54 g/mol
Exact Mass327.20
IUPAC Name2-[tert-butyl(diphenyl)silyl]oxybutan-1-amine
SMILESCCC(CN)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C20H29NOSi/c1-5-17(16-21)22-23(20(2,3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16,21H2,1-4H3
InChIKeyXFEWFMNHEYTNTE-UHFFFAOYSA-N
XLogP3.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.54
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[tert-butyl(diphenyl)silyl]oxybutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(diphenyl)silyl]oxybutan-1-amine?
The IUPAC name of 2-[tert-butyl(diphenyl)silyl]oxybutan-1-amine (CID 123995909) is 2-[tert-butyl(diphenyl)silyl]oxybutan-1-amine.
What is the SMILES notation for 2-[tert-butyl(diphenyl)silyl]oxybutan-1-amine?
The canonical SMILES for 2-[tert-butyl(diphenyl)silyl]oxybutan-1-amine is CCC(CN)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl(diphenyl)silyl]oxybutan-1-amine?
The InChIKey is XFEWFMNHEYTNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NOSi/c1-5-17(16-21)22-23(20(2,3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16,21H2,1-4H3.
What are the key properties of 2-[tert-butyl(diphenyl)silyl]oxybutan-1-amine?
2-[tert-butyl(diphenyl)silyl]oxybutan-1-amine has a molecular weight of 327.54 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(diphenyl)silyl]oxybutan-1-amine is sourced from PubChem (CID 123995909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).