2,7-ditert-butyl-2,7-diazaspiro[3.5]nonan-3-one

C15H28N2O — CID 168760684

IUPAC2,7-ditert-butyl-2,7-diazaspiro[3.5]nonan-3-one
SMILESCC(C)(C)N1CCC2(CC1)CN(C(C)(C)C)C2=O
InChIInChI=1S/C15H28N2O/c1-13(2,3)16-9-7-15(8-10-16)11-17(12(15)18)14(4,5)6/h7-11H2,1-6H3
InChIKeyMNBZZTKNHIQDJW-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.51
Rot. Bonds

About 2,7-ditert-butyl-2,7-diazaspiro[3.5]nonan-3-one

2,7-ditert-butyl-2,7-diazaspiro[3.5]nonan-3-one (PubChem CID 168760684) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 2,7-ditert-butyl-2,7-diazaspiro[3.5]nonan-3-one.

Molecular Properties

Compound Name2,7-ditert-butyl-2,7-diazaspiro[3.5]nonan-3-one
PubChem CID168760684
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name2,7-ditert-butyl-2,7-diazaspiro[3.5]nonan-3-one
SMILESCC(C)(C)N1CCC2(CC1)CN(C(C)(C)C)C2=O
InChIInChI=1S/C15H28N2O/c1-13(2,3)16-9-7-15(8-10-16)11-17(12(15)18)14(4,5)6/h7-11H2,1-6H3
InChIKeyMNBZZTKNHIQDJW-UHFFFAOYSA-N
XLogP2.51
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,7-ditert-butyl-2,7-diazaspiro[3.5]nonan-3-one?
The IUPAC name of 2,7-ditert-butyl-2,7-diazaspiro[3.5]nonan-3-one (CID 168760684) is 2,7-ditert-butyl-2,7-diazaspiro[3.5]nonan-3-one.
What is the SMILES notation for 2,7-ditert-butyl-2,7-diazaspiro[3.5]nonan-3-one?
The canonical SMILES for 2,7-ditert-butyl-2,7-diazaspiro[3.5]nonan-3-one is CC(C)(C)N1CCC2(CC1)CN(C(C)(C)C)C2=O.
What is the InChIKey of 2,7-ditert-butyl-2,7-diazaspiro[3.5]nonan-3-one?
The InChIKey is MNBZZTKNHIQDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-13(2,3)16-9-7-15(8-10-16)11-17(12(15)18)14(4,5)6/h7-11H2,1-6H3.
What are the key properties of 2,7-ditert-butyl-2,7-diazaspiro[3.5]nonan-3-one?
2,7-ditert-butyl-2,7-diazaspiro[3.5]nonan-3-one has a molecular weight of 252.40 g/mol, XLogP of 2.51, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-ditert-butyl-2,7-diazaspiro[3.5]nonan-3-one is sourced from PubChem (CID 168760684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).