tert-butyl 2-butyl-6-azaspiro[2.5]octane-6-carboxylate

C16H29NO2 — CID 150980287

IUPACtert-butyl 2-butyl-6-azaspiro[2.5]octane-6-carboxylate
SMILESCCCCC1CC12CCN(C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C16H29NO2/c1-5-6-7-13-12-16(13)8-10-17(11-9-16)14(18)19-15(2,3)4/h13H,5-12H2,1-4H3
InChIKeyLPYKFHRYEXCNFR-UHFFFAOYSA-N
MW267.41 g/mol
LogP4.21
Rot. Bonds3

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

tert-butyl 2-butyl-6-azaspiro[2.5]octane-6-carboxylate (PubChem CID 150980287) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is tert-butyl 2-butyl-6-azaspiro[2.5]octane-6-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-butyl-6-azaspiro[2.5]octane-6-carboxylate
PubChem CID150980287
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Nametert-butyl 2-butyl-6-azaspiro[2.5]octane-6-carboxylate
SMILESCCCCC1CC12CCN(C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C16H29NO2/c1-5-6-7-13-12-16(13)8-10-17(11-9-16)14(18)19-15(2,3)4/h13H,5-12H2,1-4H3
InChIKeyLPYKFHRYEXCNFR-UHFFFAOYSA-N
XLogP4.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 2-(bromomethyl)-6-azaspiro[2.5]octane-6-carboxylate
CID 121207544
tert-butyl 2-(aminomethyl)-6-azaspiro[2.5]octane-6-carboxylate;hydrochloride
CID 86280112
tert-butyl (4R)-4-butyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 97114235
tert-butyl 2-(3-oxobutyl)-5-azaspiro[2.4]heptane-5-carboxylate
CID 84711913
tert-butyl (4S)-4-amino-2,2-difluoro-8-azaspiro[4.5]decane-8-carboxylate
CID 155904836
tert-butyl 4-methyl-4-propylpiperidine-1-carboxylate
CID 145107910
tert-butyl 2-[methoxy(methyl)carbamoyl]-6-azaspiro[2.5]octane-6-carboxylate
CID 121207545
tert-butyl 2-[3-[[6-chloro-5-(dimethylcarbamoyl)-2-pyridinyl]oxy]propyl]-6-azaspiro[2.5]octane-6-carboxylate
CID 142325154
tert-butyl 1,2-dimethyl-6-azaspiro[2.5]octane-6-carboxylate
CID 58482290
tert-butyl 4-carbamoyl-4-propylpiperidine-1-carboxylate
CID 146844151
tert-butyl 2-(2-aminopropyl)-5-azaspiro[2.4]heptane-5-carboxylate
CID 84708274
tert-butyl 4-tert-butyl-4-methylpiperidine-1-carboxylate
CID 122487124

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-butyl-6-azaspiro[2.5]octane-6-carboxylate?
The IUPAC name of tert-butyl 2-butyl-6-azaspiro[2.5]octane-6-carboxylate (CID 150980287) is tert-butyl 2-butyl-6-azaspiro[2.5]octane-6-carboxylate.
What is the SMILES notation for tert-butyl 2-butyl-6-azaspiro[2.5]octane-6-carboxylate?
The canonical SMILES for tert-butyl 2-butyl-6-azaspiro[2.5]octane-6-carboxylate is CCCCC1CC12CCN(C(=O)OC(C)(C)C)CC2.
What is the InChIKey of tert-butyl 2-butyl-6-azaspiro[2.5]octane-6-carboxylate?
The InChIKey is LPYKFHRYEXCNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-5-6-7-13-12-16(13)8-10-17(11-9-16)14(18)19-15(2,3)4/h13H,5-12H2,1-4H3.
What are the key properties of tert-butyl 2-butyl-6-azaspiro[2.5]octane-6-carboxylate?
tert-butyl 2-butyl-6-azaspiro[2.5]octane-6-carboxylate has a molecular weight of 267.41 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-butyl-6-azaspiro[2.5]octane-6-carboxylate is sourced from PubChem (CID 150980287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).