1'-tert-butylspiro[5,6-dihydrocyclopenta[c][1,2]oxazole-4,4'-piperidine]-5-amine

C14H23N3O — CID 166881291

IUPAC1'-tert-butylspiro[5,6-dihydrocyclopenta[c][1,2]oxazole-4,4'-piperidine]-5-amine
SMILESCC(C)(C)N1CCC2(CC1)c1conc1CC2N
InChIInChI=1S/C14H23N3O/c1-13(2,3)17-6-4-14(5-7-17)10-9-18-16-11(10)8-12(14)15/h9,12H,4-8,15H2,1-3H3
InChIKeyJHYSGDPJIUFOQZ-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.69
Rot. Bonds

About 1'-tert-butylspiro[5,6-dihydrocyclopenta[c][1,2]oxazole-4,4'-piperidine]-5-amine

1'-tert-butylspiro[5,6-dihydrocyclopenta[c][1,2]oxazole-4,4'-piperidine]-5-amine (PubChem CID 166881291) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1'-tert-butylspiro[5,6-dihydrocyclopenta[c][1,2]oxazole-4,4'-piperidine]-5-amine.

Molecular Properties

Compound Name1'-tert-butylspiro[5,6-dihydrocyclopenta[c][1,2]oxazole-4,4'-piperidine]-5-amine
PubChem CID166881291
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1'-tert-butylspiro[5,6-dihydrocyclopenta[c][1,2]oxazole-4,4'-piperidine]-5-amine
SMILESCC(C)(C)N1CCC2(CC1)c1conc1CC2N
InChIInChI=1S/C14H23N3O/c1-13(2,3)17-6-4-14(5-7-17)10-9-18-16-11(10)8-12(14)15/h9,12H,4-8,15H2,1-3H3
InChIKeyJHYSGDPJIUFOQZ-UHFFFAOYSA-N
XLogP1.69
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-tert-butylspiro[5,6-dihydrocyclopenta[c][1,2]oxazole-4,4'-piperidine]-5-amine?
The IUPAC name of 1'-tert-butylspiro[5,6-dihydrocyclopenta[c][1,2]oxazole-4,4'-piperidine]-5-amine (CID 166881291) is 1'-tert-butylspiro[5,6-dihydrocyclopenta[c][1,2]oxazole-4,4'-piperidine]-5-amine.
What is the SMILES notation for 1'-tert-butylspiro[5,6-dihydrocyclopenta[c][1,2]oxazole-4,4'-piperidine]-5-amine?
The canonical SMILES for 1'-tert-butylspiro[5,6-dihydrocyclopenta[c][1,2]oxazole-4,4'-piperidine]-5-amine is CC(C)(C)N1CCC2(CC1)c1conc1CC2N.
What is the InChIKey of 1'-tert-butylspiro[5,6-dihydrocyclopenta[c][1,2]oxazole-4,4'-piperidine]-5-amine?
The InChIKey is JHYSGDPJIUFOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-13(2,3)17-6-4-14(5-7-17)10-9-18-16-11(10)8-12(14)15/h9,12H,4-8,15H2,1-3H3.
What are the key properties of 1'-tert-butylspiro[5,6-dihydrocyclopenta[c][1,2]oxazole-4,4'-piperidine]-5-amine?
1'-tert-butylspiro[5,6-dihydrocyclopenta[c][1,2]oxazole-4,4'-piperidine]-5-amine has a molecular weight of 249.36 g/mol, XLogP of 1.69, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-tert-butylspiro[5,6-dihydrocyclopenta[c][1,2]oxazole-4,4'-piperidine]-5-amine is sourced from PubChem (CID 166881291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).