1-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-4-(trifluoromethyl)pyrrolidin-3-amine

C24H33F3N2OSi — CID 163278303

IUPAC1-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-4-(trifluoromethyl)pyrrolidin-3-amine
SMILESCC(C)(C)[Si](OCCCN1CC(N)C(C(F)(F)F)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H33F3N2OSi/c1-23(2,3)31(19-11-6-4-7-12-19,20-13-8-5-9-14-20)30-16-10-15-29-17-21(22(28)18-29)24(25,26)27/h4-9,11-14,21-22H,10,15-18,28H2,1-3H3
InChIKeyLYKIDMRCKSZABX-UHFFFAOYSA-N
MW450.62 g/mol
LogP3.77
Rot. Bonds7

About 1-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-4-(trifluoromethyl)pyrrolidin-3-amine

1-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-4-(trifluoromethyl)pyrrolidin-3-amine (PubChem CID 163278303) has the molecular formula C24H33F3N2OSi and a molecular weight of 450.62 g/mol. Its IUPAC name is 1-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-4-(trifluoromethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-4-(trifluoromethyl)pyrrolidin-3-amine
PubChem CID163278303
Molecular FormulaC24H33F3N2OSi
Molecular Weight450.62 g/mol
Exact Mass450.23
IUPAC Name1-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-4-(trifluoromethyl)pyrrolidin-3-amine
SMILESCC(C)(C)[Si](OCCCN1CC(N)C(C(F)(F)F)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H33F3N2OSi/c1-23(2,3)31(19-11-6-4-7-12-19,20-13-8-5-9-14-20)30-16-10-15-29-17-21(22(28)18-29)24(25,26)27/h4-9,11-14,21-22H,10,15-18,28H2,1-3H3
InChIKeyLYKIDMRCKSZABX-UHFFFAOYSA-N
XLogP3.77
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.62
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-4-(trifluoromethyl)pyrrolidin-3-amine?
The IUPAC name of 1-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-4-(trifluoromethyl)pyrrolidin-3-amine (CID 163278303) is 1-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-4-(trifluoromethyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-4-(trifluoromethyl)pyrrolidin-3-amine?
The canonical SMILES for 1-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-4-(trifluoromethyl)pyrrolidin-3-amine is CC(C)(C)[Si](OCCCN1CC(N)C(C(F)(F)F)C1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-4-(trifluoromethyl)pyrrolidin-3-amine?
The InChIKey is LYKIDMRCKSZABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33F3N2OSi/c1-23(2,3)31(19-11-6-4-7-12-19,20-13-8-5-9-14-20)30-16-10-15-29-17-21(22(28)18-29)24(25,26)27/h4-9,11-14,21-22H,10,15-18,28H2,1-3H3.
What are the key properties of 1-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-4-(trifluoromethyl)pyrrolidin-3-amine?
1-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-4-(trifluoromethyl)pyrrolidin-3-amine has a molecular weight of 450.62 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-4-(trifluoromethyl)pyrrolidin-3-amine is sourced from PubChem (CID 163278303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).