2-tert-butyl-1,4-diazaspiro[4.6]undecan-3-one

C13H24N2O — CID 91400663

IUPAC2-tert-butyl-1,4-diazaspiro[4.6]undecan-3-one
SMILESCC(C)(C)C1NC2(CCCCCC2)NC1=O
InChIInChI=1S/C13H24N2O/c1-12(2,3)10-11(16)15-13(14-10)8-6-4-5-7-9-13/h10,14H,4-9H2,1-3H3,(H,15,16)
InChIKeyAQCBCZNCTVHYAQ-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.17
Rot. Bonds

About 2-tert-butyl-1,4-diazaspiro[4.6]undecan-3-one

2-tert-butyl-1,4-diazaspiro[4.6]undecan-3-one (PubChem CID 91400663) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-tert-butyl-1,4-diazaspiro[4.6]undecan-3-one.

Molecular Properties

Compound Name2-tert-butyl-1,4-diazaspiro[4.6]undecan-3-one
PubChem CID91400663
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name2-tert-butyl-1,4-diazaspiro[4.6]undecan-3-one
SMILESCC(C)(C)C1NC2(CCCCCC2)NC1=O
InChIInChI=1S/C13H24N2O/c1-12(2,3)10-11(16)15-13(14-10)8-6-4-5-7-9-13/h10,14H,4-9H2,1-3H3,(H,15,16)
InChIKeyAQCBCZNCTVHYAQ-UHFFFAOYSA-N
XLogP2.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,4-diazaspiro[4.6]undecan-3-one?
The IUPAC name of 2-tert-butyl-1,4-diazaspiro[4.6]undecan-3-one (CID 91400663) is 2-tert-butyl-1,4-diazaspiro[4.6]undecan-3-one.
What is the SMILES notation for 2-tert-butyl-1,4-diazaspiro[4.6]undecan-3-one?
The canonical SMILES for 2-tert-butyl-1,4-diazaspiro[4.6]undecan-3-one is CC(C)(C)C1NC2(CCCCCC2)NC1=O.
What is the InChIKey of 2-tert-butyl-1,4-diazaspiro[4.6]undecan-3-one?
The InChIKey is AQCBCZNCTVHYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-12(2,3)10-11(16)15-13(14-10)8-6-4-5-7-9-13/h10,14H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 2-tert-butyl-1,4-diazaspiro[4.6]undecan-3-one?
2-tert-butyl-1,4-diazaspiro[4.6]undecan-3-one has a molecular weight of 224.35 g/mol, XLogP of 2.17, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,4-diazaspiro[4.6]undecan-3-one is sourced from PubChem (CID 91400663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).