tert-butyl 9-methyl-3,9-diazaspiro[5.5]undecane-3-carboxylate

C15H28N2O2 — CID 58808179

IUPACtert-butyl 9-methyl-3,9-diazaspiro[5.5]undecane-3-carboxylate
SMILESCN1CCC2(CC1)CCN(C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C15H28N2O2/c1-14(2,3)19-13(18)17-11-7-15(8-12-17)5-9-16(4)10-6-15/h5-12H2,1-4H3
InChIKeyKHIRTTMCPZWQBV-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.73
Rot. Bonds

About tert-butyl 9-methyl-3,9-diazaspiro[5.5]undecane-3-carboxylate

tert-butyl 9-methyl-3,9-diazaspiro[5.5]undecane-3-carboxylate (PubChem CID 58808179) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is tert-butyl 9-methyl-3,9-diazaspiro[5.5]undecane-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 9-methyl-3,9-diazaspiro[5.5]undecane-3-carboxylate
PubChem CID58808179
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Nametert-butyl 9-methyl-3,9-diazaspiro[5.5]undecane-3-carboxylate
SMILESCN1CCC2(CC1)CCN(C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C15H28N2O2/c1-14(2,3)19-13(18)17-11-7-15(8-12-17)5-9-16(4)10-6-15/h5-12H2,1-4H3
InChIKeyKHIRTTMCPZWQBV-UHFFFAOYSA-N
XLogP2.73
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 9-methyl-3,9-diazaspiro[5.5]undecane-3-carboxylate?
The IUPAC name of tert-butyl 9-methyl-3,9-diazaspiro[5.5]undecane-3-carboxylate (CID 58808179) is tert-butyl 9-methyl-3,9-diazaspiro[5.5]undecane-3-carboxylate.
What is the SMILES notation for tert-butyl 9-methyl-3,9-diazaspiro[5.5]undecane-3-carboxylate?
The canonical SMILES for tert-butyl 9-methyl-3,9-diazaspiro[5.5]undecane-3-carboxylate is CN1CCC2(CC1)CCN(C(=O)OC(C)(C)C)CC2.
What is the InChIKey of tert-butyl 9-methyl-3,9-diazaspiro[5.5]undecane-3-carboxylate?
The InChIKey is KHIRTTMCPZWQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-14(2,3)19-13(18)17-11-7-15(8-12-17)5-9-16(4)10-6-15/h5-12H2,1-4H3.
What are the key properties of tert-butyl 9-methyl-3,9-diazaspiro[5.5]undecane-3-carboxylate?
tert-butyl 9-methyl-3,9-diazaspiro[5.5]undecane-3-carboxylate has a molecular weight of 268.40 g/mol, XLogP of 2.73, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 9-methyl-3,9-diazaspiro[5.5]undecane-3-carboxylate is sourced from PubChem (CID 58808179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).