(2-tert-butyl-2-azaspiro[3.3]heptan-6-yl) 2,2-dimethylpropanoate

C15H27NO2 — CID 169021639

IUPAC(2-tert-butyl-2-azaspiro[3.3]heptan-6-yl) 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC1CC2(C1)CN(C(C)(C)C)C2
InChIInChI=1S/C15H27NO2/c1-13(2,3)12(17)18-11-7-15(8-11)9-16(10-15)14(4,5)6/h11H,7-10H2,1-6H3
InChIKeyFONJXAFDFHLCBR-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.84
Rot. Bonds1

About (2-tert-butyl-2-azaspiro[3.3]heptan-6-yl) 2,2-dimethylpropanoate

(2-tert-butyl-2-azaspiro[3.3]heptan-6-yl) 2,2-dimethylpropanoate (PubChem CID 169021639) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is (2-tert-butyl-2-azaspiro[3.3]heptan-6-yl) 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(2-tert-butyl-2-azaspiro[3.3]heptan-6-yl) 2,2-dimethylpropanoate
PubChem CID169021639
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name(2-tert-butyl-2-azaspiro[3.3]heptan-6-yl) 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC1CC2(C1)CN(C(C)(C)C)C2
InChIInChI=1S/C15H27NO2/c1-13(2,3)12(17)18-11-7-15(8-11)9-16(10-15)14(4,5)6/h11H,7-10H2,1-6H3
InChIKeyFONJXAFDFHLCBR-UHFFFAOYSA-N
XLogP2.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-2-azaspiro[3.3]heptan-6-yl) 2,2-dimethylpropanoate?
The IUPAC name of (2-tert-butyl-2-azaspiro[3.3]heptan-6-yl) 2,2-dimethylpropanoate (CID 169021639) is (2-tert-butyl-2-azaspiro[3.3]heptan-6-yl) 2,2-dimethylpropanoate.
What is the SMILES notation for (2-tert-butyl-2-azaspiro[3.3]heptan-6-yl) 2,2-dimethylpropanoate?
The canonical SMILES for (2-tert-butyl-2-azaspiro[3.3]heptan-6-yl) 2,2-dimethylpropanoate is CC(C)(C)C(=O)OC1CC2(C1)CN(C(C)(C)C)C2.
What is the InChIKey of (2-tert-butyl-2-azaspiro[3.3]heptan-6-yl) 2,2-dimethylpropanoate?
The InChIKey is FONJXAFDFHLCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-13(2,3)12(17)18-11-7-15(8-11)9-16(10-15)14(4,5)6/h11H,7-10H2,1-6H3.
What are the key properties of (2-tert-butyl-2-azaspiro[3.3]heptan-6-yl) 2,2-dimethylpropanoate?
(2-tert-butyl-2-azaspiro[3.3]heptan-6-yl) 2,2-dimethylpropanoate has a molecular weight of 253.39 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-2-azaspiro[3.3]heptan-6-yl) 2,2-dimethylpropanoate is sourced from PubChem (CID 169021639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).