10-(2,3,3-trimethylbutyl)-6,10-diazaspiro[4.6]undecane-7,11-dione

C16H28N2O2 — CID 83147466

IUPAC10-(2,3,3-trimethylbutyl)-6,10-diazaspiro[4.6]undecane-7,11-dione
SMILESCC(CN1CCC(=O)NC2(CCCC2)C1=O)C(C)(C)C
InChIInChI=1S/C16H28N2O2/c1-12(15(2,3)4)11-18-10-7-13(19)17-16(14(18)20)8-5-6-9-16/h12H,5-11H2,1-4H3,(H,17,19)
InChIKeyLJBYSTVXVASCDM-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.33
Rot. Bonds2

About 10-(2,3,3-trimethylbutyl)-6,10-diazaspiro[4.6]undecane-7,11-dione

10-(2,3,3-trimethylbutyl)-6,10-diazaspiro[4.6]undecane-7,11-dione (PubChem CID 83147466) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 10-(2,3,3-trimethylbutyl)-6,10-diazaspiro[4.6]undecane-7,11-dione.

Molecular Properties

Compound Name10-(2,3,3-trimethylbutyl)-6,10-diazaspiro[4.6]undecane-7,11-dione
PubChem CID83147466
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name10-(2,3,3-trimethylbutyl)-6,10-diazaspiro[4.6]undecane-7,11-dione
SMILESCC(CN1CCC(=O)NC2(CCCC2)C1=O)C(C)(C)C
InChIInChI=1S/C16H28N2O2/c1-12(15(2,3)4)11-18-10-7-13(19)17-16(14(18)20)8-5-6-9-16/h12H,5-11H2,1-4H3,(H,17,19)
InChIKeyLJBYSTVXVASCDM-UHFFFAOYSA-N
XLogP2.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10-(2,3,3-trimethylbutyl)-6,10-diazaspiro[4.6]undecane-7,11-dione?
The IUPAC name of 10-(2,3,3-trimethylbutyl)-6,10-diazaspiro[4.6]undecane-7,11-dione (CID 83147466) is 10-(2,3,3-trimethylbutyl)-6,10-diazaspiro[4.6]undecane-7,11-dione.
What is the SMILES notation for 10-(2,3,3-trimethylbutyl)-6,10-diazaspiro[4.6]undecane-7,11-dione?
The canonical SMILES for 10-(2,3,3-trimethylbutyl)-6,10-diazaspiro[4.6]undecane-7,11-dione is CC(CN1CCC(=O)NC2(CCCC2)C1=O)C(C)(C)C.
What is the InChIKey of 10-(2,3,3-trimethylbutyl)-6,10-diazaspiro[4.6]undecane-7,11-dione?
The InChIKey is LJBYSTVXVASCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-12(15(2,3)4)11-18-10-7-13(19)17-16(14(18)20)8-5-6-9-16/h12H,5-11H2,1-4H3,(H,17,19).
What are the key properties of 10-(2,3,3-trimethylbutyl)-6,10-diazaspiro[4.6]undecane-7,11-dione?
10-(2,3,3-trimethylbutyl)-6,10-diazaspiro[4.6]undecane-7,11-dione has a molecular weight of 280.41 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2,3,3-trimethylbutyl)-6,10-diazaspiro[4.6]undecane-7,11-dione is sourced from PubChem (CID 83147466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).