8-nonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

C16H29N3O2 — CID 82098593

IUPAC8-nonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCCCCCCCCN1CCC2(CC1)NC(=O)NC2=O
InChIInChI=1S/C16H29N3O2/c1-2-3-4-5-6-7-8-11-19-12-9-16(10-13-19)14(20)17-15(21)18-16/h2-13H2,1H3,(H2,17,18,20,21)
InChIKeyFGSVFDOZUMKBNY-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.41
Rot. Bonds8

About 8-nonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-nonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 82098593) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 8-nonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-nonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID82098593
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name8-nonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCCCCCCCCN1CCC2(CC1)NC(=O)NC2=O
InChIInChI=1S/C16H29N3O2/c1-2-3-4-5-6-7-8-11-19-12-9-16(10-13-19)14(20)17-15(21)18-16/h2-13H2,1H3,(H2,17,18,20,21)
InChIKeyFGSVFDOZUMKBNY-UHFFFAOYSA-N
XLogP2.41
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-nonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-nonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 82098593) is 8-nonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-nonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-nonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is CCCCCCCCCN1CCC2(CC1)NC(=O)NC2=O.
What is the InChIKey of 8-nonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is FGSVFDOZUMKBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-2-3-4-5-6-7-8-11-19-12-9-16(10-13-19)14(20)17-15(21)18-16/h2-13H2,1H3,(H2,17,18,20,21).
What are the key properties of 8-nonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-nonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 295.43 g/mol, XLogP of 2.41, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-nonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 82098593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).