tert-butyl 1-azaspiro[4.5]decane-1-carboxylate

C14H25NO2 — CID 58234898

IUPACtert-butyl 1-azaspiro[4.5]decane-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC12CCCCC2
InChIInChI=1S/C14H25NO2/c1-13(2,3)17-12(16)15-11-7-10-14(15)8-5-4-6-9-14/h4-11H2,1-3H3
InChIKeyVUAXDOTXSBUSHX-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.72
Rot. Bonds

About tert-butyl 1-azaspiro[4.5]decane-1-carboxylate

tert-butyl 1-azaspiro[4.5]decane-1-carboxylate (PubChem CID 58234898) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is tert-butyl 1-azaspiro[4.5]decane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-azaspiro[4.5]decane-1-carboxylate
PubChem CID58234898
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Nametert-butyl 1-azaspiro[4.5]decane-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC12CCCCC2
InChIInChI=1S/C14H25NO2/c1-13(2,3)17-12(16)15-11-7-10-14(15)8-5-4-6-9-14/h4-11H2,1-3H3
InChIKeyVUAXDOTXSBUSHX-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze tert-butyl 1-azaspiro[4.5]decane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-azaspiro[4.5]decane-1-carboxylate?
The IUPAC name of tert-butyl 1-azaspiro[4.5]decane-1-carboxylate (CID 58234898) is tert-butyl 1-azaspiro[4.5]decane-1-carboxylate.
What is the SMILES notation for tert-butyl 1-azaspiro[4.5]decane-1-carboxylate?
The canonical SMILES for tert-butyl 1-azaspiro[4.5]decane-1-carboxylate is CC(C)(C)OC(=O)N1CCCC12CCCCC2.
What is the InChIKey of tert-butyl 1-azaspiro[4.5]decane-1-carboxylate?
The InChIKey is VUAXDOTXSBUSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-13(2,3)17-12(16)15-11-7-10-14(15)8-5-4-6-9-14/h4-11H2,1-3H3.
What are the key properties of tert-butyl 1-azaspiro[4.5]decane-1-carboxylate?
tert-butyl 1-azaspiro[4.5]decane-1-carboxylate has a molecular weight of 239.36 g/mol, XLogP of 3.72, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-azaspiro[4.5]decane-1-carboxylate is sourced from PubChem (CID 58234898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).