3-[tert-butyl(diphenyl)silyl]oxypropan-1-amine

C19H27NOSi — CID 15174653

IUPAC3-[tert-butyl(diphenyl)silyl]oxypropan-1-amine
SMILESCC(C)(C)[Si](OCCCN)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H27NOSi/c1-19(2,3)22(21-16-10-15-20,17-11-6-4-7-12-17)18-13-8-5-9-14-18/h4-9,11-14H,10,15-16,20H2,1-3H3
InChIKeyBKNIYMQNONRAIJ-UHFFFAOYSA-N
MW313.52 g/mol
LogP2.91
Rot. Bonds6

About 3-[tert-butyl(diphenyl)silyl]oxypropan-1-amine

3-[tert-butyl(diphenyl)silyl]oxypropan-1-amine (PubChem CID 15174653) has the molecular formula C19H27NOSi and a molecular weight of 313.52 g/mol. Its IUPAC name is 3-[tert-butyl(diphenyl)silyl]oxypropan-1-amine.

Molecular Properties

Compound Name3-[tert-butyl(diphenyl)silyl]oxypropan-1-amine
PubChem CID15174653
Molecular FormulaC19H27NOSi
Molecular Weight313.52 g/mol
Exact Mass313.19
IUPAC Name3-[tert-butyl(diphenyl)silyl]oxypropan-1-amine
SMILESCC(C)(C)[Si](OCCCN)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H27NOSi/c1-19(2,3)22(21-16-10-15-20,17-11-6-4-7-12-17)18-13-8-5-9-14-18/h4-9,11-14H,10,15-16,20H2,1-3H3
InChIKeyBKNIYMQNONRAIJ-UHFFFAOYSA-N
XLogP2.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.52
LogP ≤ 52.91
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'}

Analyze 3-[tert-butyl(diphenyl)silyl]oxypropan-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 3-[tert-butyl(diphenyl)silyl]oxypropan-1-amine?
The IUPAC name of 3-[tert-butyl(diphenyl)silyl]oxypropan-1-amine (CID 15174653) is 3-[tert-butyl(diphenyl)silyl]oxypropan-1-amine.
What is the SMILES notation for 3-[tert-butyl(diphenyl)silyl]oxypropan-1-amine?
The canonical SMILES for 3-[tert-butyl(diphenyl)silyl]oxypropan-1-amine is CC(C)(C)[Si](OCCCN)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[tert-butyl(diphenyl)silyl]oxypropan-1-amine?
The InChIKey is BKNIYMQNONRAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NOSi/c1-19(2,3)22(21-16-10-15-20,17-11-6-4-7-12-17)18-13-8-5-9-14-18/h4-9,11-14H,10,15-16,20H2,1-3H3.
What are the key properties of 3-[tert-butyl(diphenyl)silyl]oxypropan-1-amine?
3-[tert-butyl(diphenyl)silyl]oxypropan-1-amine has a molecular weight of 313.52 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(diphenyl)silyl]oxypropan-1-amine is sourced from PubChem (CID 15174653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).