6-(2-ethylbutyl)-8,8-dimethyl-6,9-diazaspiro[4.5]decane-7,10-dione

C16H28N2O2 — CID 82935243

IUPAC6-(2-ethylbutyl)-8,8-dimethyl-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESCCC(CC)CN1C(=O)C(C)(C)NC(=O)C12CCCC2
InChIInChI=1S/C16H28N2O2/c1-5-12(6-2)11-18-14(20)15(3,4)17-13(19)16(18)9-7-8-10-16/h12H,5-11H2,1-4H3,(H,17,19)
InChIKeyYZLHNIABBRWIQM-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.47
Rot. Bonds4

About 6-(2-ethylbutyl)-8,8-dimethyl-6,9-diazaspiro[4.5]decane-7,10-dione

6-(2-ethylbutyl)-8,8-dimethyl-6,9-diazaspiro[4.5]decane-7,10-dione (PubChem CID 82935243) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 6-(2-ethylbutyl)-8,8-dimethyl-6,9-diazaspiro[4.5]decane-7,10-dione.

Molecular Properties

Compound Name6-(2-ethylbutyl)-8,8-dimethyl-6,9-diazaspiro[4.5]decane-7,10-dione
PubChem CID82935243
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name6-(2-ethylbutyl)-8,8-dimethyl-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESCCC(CC)CN1C(=O)C(C)(C)NC(=O)C12CCCC2
InChIInChI=1S/C16H28N2O2/c1-5-12(6-2)11-18-14(20)15(3,4)17-13(19)16(18)9-7-8-10-16/h12H,5-11H2,1-4H3,(H,17,19)
InChIKeyYZLHNIABBRWIQM-UHFFFAOYSA-N
XLogP2.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2-ethylbutyl)-8,8-dimethyl-6,9-diazaspiro[4.5]decane-7,10-dione?
The IUPAC name of 6-(2-ethylbutyl)-8,8-dimethyl-6,9-diazaspiro[4.5]decane-7,10-dione (CID 82935243) is 6-(2-ethylbutyl)-8,8-dimethyl-6,9-diazaspiro[4.5]decane-7,10-dione.
What is the SMILES notation for 6-(2-ethylbutyl)-8,8-dimethyl-6,9-diazaspiro[4.5]decane-7,10-dione?
The canonical SMILES for 6-(2-ethylbutyl)-8,8-dimethyl-6,9-diazaspiro[4.5]decane-7,10-dione is CCC(CC)CN1C(=O)C(C)(C)NC(=O)C12CCCC2.
What is the InChIKey of 6-(2-ethylbutyl)-8,8-dimethyl-6,9-diazaspiro[4.5]decane-7,10-dione?
The InChIKey is YZLHNIABBRWIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-5-12(6-2)11-18-14(20)15(3,4)17-13(19)16(18)9-7-8-10-16/h12H,5-11H2,1-4H3,(H,17,19).
What are the key properties of 6-(2-ethylbutyl)-8,8-dimethyl-6,9-diazaspiro[4.5]decane-7,10-dione?
6-(2-ethylbutyl)-8,8-dimethyl-6,9-diazaspiro[4.5]decane-7,10-dione has a molecular weight of 280.41 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethylbutyl)-8,8-dimethyl-6,9-diazaspiro[4.5]decane-7,10-dione is sourced from PubChem (CID 82935243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).