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

C25H34FNO2Si — CID 169182636

IUPACN-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-(1-fluorocyclopropyl)ethyl]oxolan-3-amine
SMILESCC(C)(C)[Si](OC[C@@H](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/t20?,23-/m1/s1
InChIKeyIJNIYPCJNDOBGR-GWQXNCQPSA-N
MW427.64 g/mol
LogP3.81
Rot. Bonds8

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

N-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-(1-fluorocyclopropyl)ethyl]oxolan-3-amine (PubChem CID 169182636) has the molecular formula C25H34FNO2Si and a molecular weight of 427.64 g/mol. Its IUPAC name is N-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-(1-fluorocyclopropyl)ethyl]oxolan-3-amine.

Molecular Properties

Compound NameN-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-(1-fluorocyclopropyl)ethyl]oxolan-3-amine
PubChem CID169182636
Molecular FormulaC25H34FNO2Si
Molecular Weight427.64 g/mol
Exact Mass427.23
IUPAC NameN-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-(1-fluorocyclopropyl)ethyl]oxolan-3-amine
SMILESCC(C)(C)[Si](OC[C@@H](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/t20?,23-/m1/s1
InChIKeyIJNIYPCJNDOBGR-GWQXNCQPSA-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

(S)-2-(((Tert-butyldiphenylsilyl)oxy)methyl)pyrrolidine
CID 11234959
C21H29NOSi
CID 72762622
N-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-1,1-difluoropropan-2-yl]oxolan-3-amine
CID 169181636
N-[2-[tert-butyl(diphenyl)silyl]oxy-1-(oxetan-3-yl)ethyl]-2,2-difluoroethanamine
CID 169181672
(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-(1-fluorocyclopropyl)ethanamine
CID 169182054
tert-butyl-[[(2S)-4,4-difluoropyrrolidin-2-yl]methoxy]-diphenylsilane
CID 170771909
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-2-methyl-N-propan-2-ylpropan-1-amine
CID 172785843
N-[2-[tert-butyl(diphenyl)silyl]oxy-1-(1-fluorocyclopropyl)ethyl]oxolan-3-amine
CID 174058629
N-[3-[tert-butyl(diphenyl)silyl]oxy-1,1-difluoropropan-2-yl]oxolan-3-amine
CID 174058831
2-[Tert-butyl(diphenyl)silyl]oxy-1-(1-fluorocyclopropyl)ethanamine
CID 174058873
tert-butyl-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methoxy]-diphenylsilane
CID 175426114
[(2S)-2-[3-[tert-butyl(diphenyl)silyl]oxypropylamino]propyl] 2,2,2-trifluoroacetate
CID 178969448

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-(1-fluorocyclopropyl)ethyl]oxolan-3-amine?
The IUPAC name of N-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-(1-fluorocyclopropyl)ethyl]oxolan-3-amine (CID 169182636) is N-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-(1-fluorocyclopropyl)ethyl]oxolan-3-amine.
What is the SMILES notation for N-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-(1-fluorocyclopropyl)ethyl]oxolan-3-amine?
The canonical SMILES for N-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-(1-fluorocyclopropyl)ethyl]oxolan-3-amine is CC(C)(C)[Si](OC[C@@H](NC1CCOC1)C1(F)CC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-(1-fluorocyclopropyl)ethyl]oxolan-3-amine?
The InChIKey is IJNIYPCJNDOBGR-GWQXNCQPSA-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/t20?,23-/m1/s1.
What are the key properties of N-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-(1-fluorocyclopropyl)ethyl]oxolan-3-amine?
N-[(1R)-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-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-(1-fluorocyclopropyl)ethyl]oxolan-3-amine is sourced from PubChem (CID 169182636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).