8-ethyl-9-(5-methylhexyl)-6,9-diazaspiro[4.5]decane-7,10-dione

C17H30N2O2 — CID 115327199

IUPAC8-ethyl-9-(5-methylhexyl)-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESCCC1C(=O)NC2(CCCC2)C(=O)N1CCCCC(C)C
InChIInChI=1S/C17H30N2O2/c1-4-14-15(20)18-17(10-6-7-11-17)16(21)19(14)12-8-5-9-13(2)3/h13-14H,4-12H2,1-3H3,(H,18,20)
InChIKeyJBHBPECCHYHJIA-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.86
Rot. Bonds6

About 8-ethyl-9-(5-methylhexyl)-6,9-diazaspiro[4.5]decane-7,10-dione

8-ethyl-9-(5-methylhexyl)-6,9-diazaspiro[4.5]decane-7,10-dione (PubChem CID 115327199) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 8-ethyl-9-(5-methylhexyl)-6,9-diazaspiro[4.5]decane-7,10-dione.

Molecular Properties

Compound Name8-ethyl-9-(5-methylhexyl)-6,9-diazaspiro[4.5]decane-7,10-dione
PubChem CID115327199
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name8-ethyl-9-(5-methylhexyl)-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESCCC1C(=O)NC2(CCCC2)C(=O)N1CCCCC(C)C
InChIInChI=1S/C17H30N2O2/c1-4-14-15(20)18-17(10-6-7-11-17)16(21)19(14)12-8-5-9-13(2)3/h13-14H,4-12H2,1-3H3,(H,18,20)
InChIKeyJBHBPECCHYHJIA-UHFFFAOYSA-N
XLogP2.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 8-ethyl-9-(5-methylhexyl)-6,9-diazaspiro[4.5]decane-7,10-dione with MolForge

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Related Compounds

4-butyl-3-ethyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64886290
8,9-diethyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64887606
8-ethyl-9-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64885889
8-methyl-9-(3-methylbutyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64887057
9-(4-methoxybutyl)-8-propyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 104650420
8-ethyl-9-(2-methylprop-2-enyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 114619330
8-ethyl-9-[2-(furan-2-yl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64964670
8-methyl-9-octyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64886104
9-(7-methyloctyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 107818476
8-ethyl-9-[(1-methylpyrazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64887032
8-(2-methylpropyl)-9-(2,2,2-trifluoroethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64887040
8-ethyl-9-(1-methylcyclopentyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64973613

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-9-(5-methylhexyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
The IUPAC name of 8-ethyl-9-(5-methylhexyl)-6,9-diazaspiro[4.5]decane-7,10-dione (CID 115327199) is 8-ethyl-9-(5-methylhexyl)-6,9-diazaspiro[4.5]decane-7,10-dione.
What is the SMILES notation for 8-ethyl-9-(5-methylhexyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
The canonical SMILES for 8-ethyl-9-(5-methylhexyl)-6,9-diazaspiro[4.5]decane-7,10-dione is CCC1C(=O)NC2(CCCC2)C(=O)N1CCCCC(C)C.
What is the InChIKey of 8-ethyl-9-(5-methylhexyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
The InChIKey is JBHBPECCHYHJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-4-14-15(20)18-17(10-6-7-11-17)16(21)19(14)12-8-5-9-13(2)3/h13-14H,4-12H2,1-3H3,(H,18,20).
What are the key properties of 8-ethyl-9-(5-methylhexyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
8-ethyl-9-(5-methylhexyl)-6,9-diazaspiro[4.5]decane-7,10-dione has a molecular weight of 294.44 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-9-(5-methylhexyl)-6,9-diazaspiro[4.5]decane-7,10-dione is sourced from PubChem (CID 115327199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).