tert-butyl 9-amino-5-methyl-3-azaspiro[5.5]undecane-3-carboxylate

C16H30N2O2 — CID 155893864

IUPACtert-butyl 9-amino-5-methyl-3-azaspiro[5.5]undecane-3-carboxylate
SMILESCC1CN(C(=O)OC(C)(C)C)CCC12CCC(N)CC2
InChIInChI=1S/C16H30N2O2/c1-12-11-18(14(19)20-15(2,3)4)10-9-16(12)7-5-13(17)6-8-16/h12-13H,5-11,17H2,1-4H3
InChIKeyRURHJOXTVUCEMB-UHFFFAOYSA-N
MW282.43 g/mol
LogP3.15
Rot. Bonds

About tert-butyl 9-amino-5-methyl-3-azaspiro[5.5]undecane-3-carboxylate

tert-butyl 9-amino-5-methyl-3-azaspiro[5.5]undecane-3-carboxylate (PubChem CID 155893864) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is tert-butyl 9-amino-5-methyl-3-azaspiro[5.5]undecane-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 9-amino-5-methyl-3-azaspiro[5.5]undecane-3-carboxylate
PubChem CID155893864
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Nametert-butyl 9-amino-5-methyl-3-azaspiro[5.5]undecane-3-carboxylate
SMILESCC1CN(C(=O)OC(C)(C)C)CCC12CCC(N)CC2
InChIInChI=1S/C16H30N2O2/c1-12-11-18(14(19)20-15(2,3)4)10-9-16(12)7-5-13(17)6-8-16/h12-13H,5-11,17H2,1-4H3
InChIKeyRURHJOXTVUCEMB-UHFFFAOYSA-N
XLogP3.15
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 9-amino-5-methyl-3-azaspiro[5.5]undecane-3-carboxylate?
The IUPAC name of tert-butyl 9-amino-5-methyl-3-azaspiro[5.5]undecane-3-carboxylate (CID 155893864) is tert-butyl 9-amino-5-methyl-3-azaspiro[5.5]undecane-3-carboxylate.
What is the SMILES notation for tert-butyl 9-amino-5-methyl-3-azaspiro[5.5]undecane-3-carboxylate?
The canonical SMILES for tert-butyl 9-amino-5-methyl-3-azaspiro[5.5]undecane-3-carboxylate is CC1CN(C(=O)OC(C)(C)C)CCC12CCC(N)CC2.
What is the InChIKey of tert-butyl 9-amino-5-methyl-3-azaspiro[5.5]undecane-3-carboxylate?
The InChIKey is RURHJOXTVUCEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-12-11-18(14(19)20-15(2,3)4)10-9-16(12)7-5-13(17)6-8-16/h12-13H,5-11,17H2,1-4H3.
What are the key properties of tert-butyl 9-amino-5-methyl-3-azaspiro[5.5]undecane-3-carboxylate?
tert-butyl 9-amino-5-methyl-3-azaspiro[5.5]undecane-3-carboxylate has a molecular weight of 282.43 g/mol, XLogP of 3.15, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 9-amino-5-methyl-3-azaspiro[5.5]undecane-3-carboxylate is sourced from PubChem (CID 155893864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).