tert-butyl 1,2-dimethyl-6-azaspiro[2.5]octane-6-carboxylate

C14H25NO2 — CID 58482290

IUPACtert-butyl 1,2-dimethyl-6-azaspiro[2.5]octane-6-carboxylate
SMILESCC1C(C)C12CCN(C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C14H25NO2/c1-10-11(2)14(10)6-8-15(9-7-14)12(16)17-13(3,4)5/h10-11H,6-9H2,1-5H3
InChIKeyJVRMPGXVAGFYRY-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.29
Rot. Bonds

About tert-butyl 1,2-dimethyl-6-azaspiro[2.5]octane-6-carboxylate

tert-butyl 1,2-dimethyl-6-azaspiro[2.5]octane-6-carboxylate (PubChem CID 58482290) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is tert-butyl 1,2-dimethyl-6-azaspiro[2.5]octane-6-carboxylate.

Molecular Properties

Compound Nametert-butyl 1,2-dimethyl-6-azaspiro[2.5]octane-6-carboxylate
PubChem CID58482290
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Nametert-butyl 1,2-dimethyl-6-azaspiro[2.5]octane-6-carboxylate
SMILESCC1C(C)C12CCN(C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C14H25NO2/c1-10-11(2)14(10)6-8-15(9-7-14)12(16)17-13(3,4)5/h10-11H,6-9H2,1-5H3
InChIKeyJVRMPGXVAGFYRY-UHFFFAOYSA-N
XLogP3.29
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 4-tert-butyl-4-methylpiperidine-1-carboxylate
CID 122487124
tert-butyl 6-azaspiro[2.5]octane-6-carboxylate;methane
CID 177036398
tert-butyl 7-azaspiro[3.5]nonane-7-carboxylate
CID 130609664
(1S,2R,4S)-1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[bicyclo[2.2.1]heptane-7,4'-piperidine]-2-carboxylic acid
CID 98060088
(1S,2S,4S)-1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[bicyclo[2.2.1]heptane-7,4'-piperidine]-2-carboxylic acid
CID 124930188
ethane;4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 142839957
tert-butyl 4-(chlorooxymethyl)-4-fluoropiperidine-1-carboxylate
CID 70885046
tert-butyl 4,4-dimethylazepane-1-carboxylate
CID 65286456
tert-butyl 4-carbonochloridoyl-4-fluoropiperidine-1-carboxylate
CID 59658463
tert-butyl 3-carbonochloridoyl-3,9-diazaspiro[5.5]undecane-9-carboxylate
CID 142473443
tert-butyl 4,4-bis(aminomethyl)piperidine-1-carboxylate
CID 126502774
tert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate;ethane
CID 176939891

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1,2-dimethyl-6-azaspiro[2.5]octane-6-carboxylate?
The IUPAC name of tert-butyl 1,2-dimethyl-6-azaspiro[2.5]octane-6-carboxylate (CID 58482290) is tert-butyl 1,2-dimethyl-6-azaspiro[2.5]octane-6-carboxylate.
What is the SMILES notation for tert-butyl 1,2-dimethyl-6-azaspiro[2.5]octane-6-carboxylate?
The canonical SMILES for tert-butyl 1,2-dimethyl-6-azaspiro[2.5]octane-6-carboxylate is CC1C(C)C12CCN(C(=O)OC(C)(C)C)CC2.
What is the InChIKey of tert-butyl 1,2-dimethyl-6-azaspiro[2.5]octane-6-carboxylate?
The InChIKey is JVRMPGXVAGFYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-10-11(2)14(10)6-8-15(9-7-14)12(16)17-13(3,4)5/h10-11H,6-9H2,1-5H3.
What are the key properties of tert-butyl 1,2-dimethyl-6-azaspiro[2.5]octane-6-carboxylate?
tert-butyl 1,2-dimethyl-6-azaspiro[2.5]octane-6-carboxylate has a molecular weight of 239.36 g/mol, XLogP of 3.29, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1,2-dimethyl-6-azaspiro[2.5]octane-6-carboxylate is sourced from PubChem (CID 58482290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).