8-methyl-9-octyl-6,9-diazaspiro[4.5]decane-7,10-dione

C17H30N2O2 — CID 64886104

IUPAC8-methyl-9-octyl-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESCCCCCCCCN1C(=O)C2(CCCC2)NC(=O)C1C
InChIInChI=1S/C17H30N2O2/c1-3-4-5-6-7-10-13-19-14(2)15(20)18-17(16(19)21)11-8-9-12-17/h14H,3-13H2,1-2H3,(H,18,20)
InChIKeyUJFGDPFBYHWMSA-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.01
Rot. Bonds7

About 8-methyl-9-octyl-6,9-diazaspiro[4.5]decane-7,10-dione

8-methyl-9-octyl-6,9-diazaspiro[4.5]decane-7,10-dione (PubChem CID 64886104) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 8-methyl-9-octyl-6,9-diazaspiro[4.5]decane-7,10-dione.

Molecular Properties

Compound Name8-methyl-9-octyl-6,9-diazaspiro[4.5]decane-7,10-dione
PubChem CID64886104
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name8-methyl-9-octyl-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESCCCCCCCCN1C(=O)C2(CCCC2)NC(=O)C1C
InChIInChI=1S/C17H30N2O2/c1-3-4-5-6-7-10-13-19-14(2)15(20)18-17(16(19)21)11-8-9-12-17/h14H,3-13H2,1-2H3,(H,18,20)
InChIKeyUJFGDPFBYHWMSA-UHFFFAOYSA-N
XLogP3.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-9-octyl-6,9-diazaspiro[4.5]decane-7,10-dione?
The IUPAC name of 8-methyl-9-octyl-6,9-diazaspiro[4.5]decane-7,10-dione (CID 64886104) is 8-methyl-9-octyl-6,9-diazaspiro[4.5]decane-7,10-dione.
What is the SMILES notation for 8-methyl-9-octyl-6,9-diazaspiro[4.5]decane-7,10-dione?
The canonical SMILES for 8-methyl-9-octyl-6,9-diazaspiro[4.5]decane-7,10-dione is CCCCCCCCN1C(=O)C2(CCCC2)NC(=O)C1C.
What is the InChIKey of 8-methyl-9-octyl-6,9-diazaspiro[4.5]decane-7,10-dione?
The InChIKey is UJFGDPFBYHWMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-3-4-5-6-7-10-13-19-14(2)15(20)18-17(16(19)21)11-8-9-12-17/h14H,3-13H2,1-2H3,(H,18,20).
What are the key properties of 8-methyl-9-octyl-6,9-diazaspiro[4.5]decane-7,10-dione?
8-methyl-9-octyl-6,9-diazaspiro[4.5]decane-7,10-dione has a molecular weight of 294.44 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-9-octyl-6,9-diazaspiro[4.5]decane-7,10-dione is sourced from PubChem (CID 64886104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).