N-[2-[tert-butyl(diphenyl)silyl]oxy-1-(1-fluorocyclopropyl)ethyl]oxolan-3-amine

C25H34FNO2Si — CID 174058629

IUPACN-[2-[tert-butyl(diphenyl)silyl]oxy-1-(1-fluorocyclopropyl)ethyl]oxolan-3-amine
SMILESCC(C)(C)[Si](OCC(NC1CCOC1)C1(F)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H34FNO2Si/c1-24(2,3)30(21-10-6-4-7-11-21,22-12-8-5-9-13-22)29-19-23(25(26)15-16-25)27-20-14-17-28-18-20/h4-13,20,23,27H,14-19H2,1-3H3
InChIKeyIJNIYPCJNDOBGR-UHFFFAOYSA-N
MW427.64 g/mol
LogP3.81
Rot. Bonds8

About N-[2-[tert-butyl(diphenyl)silyl]oxy-1-(1-fluorocyclopropyl)ethyl]oxolan-3-amine

N-[2-[tert-butyl(diphenyl)silyl]oxy-1-(1-fluorocyclopropyl)ethyl]oxolan-3-amine (PubChem CID 174058629) has the molecular formula C25H34FNO2Si and a molecular weight of 427.64 g/mol. Its IUPAC name is N-[2-[tert-butyl(diphenyl)silyl]oxy-1-(1-fluorocyclopropyl)ethyl]oxolan-3-amine.

Molecular Properties

Compound NameN-[2-[tert-butyl(diphenyl)silyl]oxy-1-(1-fluorocyclopropyl)ethyl]oxolan-3-amine
PubChem CID174058629
Molecular FormulaC25H34FNO2Si
Molecular Weight427.64 g/mol
Exact Mass427.23
IUPAC NameN-[2-[tert-butyl(diphenyl)silyl]oxy-1-(1-fluorocyclopropyl)ethyl]oxolan-3-amine
SMILESCC(C)(C)[Si](OCC(NC1CCOC1)C1(F)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H34FNO2Si/c1-24(2,3)30(21-10-6-4-7-11-21,22-12-8-5-9-13-22)29-19-23(25(26)15-16-25)27-20-14-17-28-18-20/h4-13,20,23,27H,14-19H2,1-3H3
InChIKeyIJNIYPCJNDOBGR-UHFFFAOYSA-N
XLogP3.81
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.64
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[tert-butyl(diphenyl)silyl]oxy-1-(oxetan-3-yl)ethanamine
CID 169182431
(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[1-(oxan-2-yloxy)cyclopropyl]ethanamine
CID 169181483
tert-butyl-(1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethoxy)-diphenylsilane
CID 102228442
1-bicyclo[1.1.1]pentanylmethoxy-tert-butyl-diphenylsilane
CID 142733105
1-[1-amino-2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclopropane-1-carbonitrile
CID 169182525
tert-butyl-[[(3R)-morpholin-3-yl]methoxy]-diphenylsilane;hydrochloride
CID 131732786
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
N-(3,3-dimethyl-1-phenylbutyl)oxolan-3-amine
CID 63335747
tert-butyl-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(1,3-dioxolan-2-yl)butoxy]-diphenylsilane
CID 10439261
(2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,4-difluorothiolan-3-ol
CID 10692836
(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(2R)-oxan-2-yl]ethanol
CID 15318695
tert-butyl-(3-iodo-2-methylpropoxy)-diphenylsilane
CID 14262200

Frequently Asked Questions

What is the IUPAC name of N-[2-[tert-butyl(diphenyl)silyl]oxy-1-(1-fluorocyclopropyl)ethyl]oxolan-3-amine?
The IUPAC name of N-[2-[tert-butyl(diphenyl)silyl]oxy-1-(1-fluorocyclopropyl)ethyl]oxolan-3-amine (CID 174058629) is N-[2-[tert-butyl(diphenyl)silyl]oxy-1-(1-fluorocyclopropyl)ethyl]oxolan-3-amine.
What is the SMILES notation for N-[2-[tert-butyl(diphenyl)silyl]oxy-1-(1-fluorocyclopropyl)ethyl]oxolan-3-amine?
The canonical SMILES for N-[2-[tert-butyl(diphenyl)silyl]oxy-1-(1-fluorocyclopropyl)ethyl]oxolan-3-amine is CC(C)(C)[Si](OCC(NC1CCOC1)C1(F)CC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-[tert-butyl(diphenyl)silyl]oxy-1-(1-fluorocyclopropyl)ethyl]oxolan-3-amine?
The InChIKey is IJNIYPCJNDOBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34FNO2Si/c1-24(2,3)30(21-10-6-4-7-11-21,22-12-8-5-9-13-22)29-19-23(25(26)15-16-25)27-20-14-17-28-18-20/h4-13,20,23,27H,14-19H2,1-3H3.
What are the key properties of N-[2-[tert-butyl(diphenyl)silyl]oxy-1-(1-fluorocyclopropyl)ethyl]oxolan-3-amine?
N-[2-[tert-butyl(diphenyl)silyl]oxy-1-(1-fluorocyclopropyl)ethyl]oxolan-3-amine has a molecular weight of 427.64 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[tert-butyl(diphenyl)silyl]oxy-1-(1-fluorocyclopropyl)ethyl]oxolan-3-amine is sourced from PubChem (CID 174058629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).