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

C13H23N3O2 — CID 82098568

IUPAC8-hexyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCCCCCN1CCC2(CC1)NC(=O)NC2=O
InChIInChI=1S/C13H23N3O2/c1-2-3-4-5-8-16-9-6-13(7-10-16)11(17)14-12(18)15-13/h2-10H2,1H3,(H2,14,15,17,18)
InChIKeyXUCXIUDCTGBOLI-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.24
Rot. Bonds5

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

8-hexyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 82098568) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 8-hexyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-hexyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID82098568
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name8-hexyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCCCCCN1CCC2(CC1)NC(=O)NC2=O
InChIInChI=1S/C13H23N3O2/c1-2-3-4-5-8-16-9-6-13(7-10-16)11(17)14-12(18)15-13/h2-10H2,1H3,(H2,14,15,17,18)
InChIKeyXUCXIUDCTGBOLI-UHFFFAOYSA-N
XLogP1.24
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.24
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'}

Analyze 8-hexyl-1,3,8-triazaspiro[4.5]decane-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-nonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 82098593
2-(8-hexyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetic acid
CID 94752309
7-octanoyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78995995
2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-N,N-diethylacetamide
CID 82098540
8-butanoyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 42109419
8-propyl-2-sulfanylidene-1,3,8-triazaspiro[4.5]decan-4-one
CID 82997209
3-(2-aminoethyl)-8-pentyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 82147866
7-pentanoyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78996234
8-[5-oxo-5-(2,4,5-trimethoxyphenyl)pentyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 18931240
8-[7-(5-chloro-2-methoxyphenyl)-7-oxoheptyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 18931398
1-hexyl-4,4-dimethylpiperidine
CID 18722930
8-[5-(3,5-dichloro-2-methoxyphenyl)-5-oxopentyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 18931204

Frequently Asked Questions

What is the IUPAC name of 8-hexyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-hexyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 82098568) is 8-hexyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-hexyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-hexyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is CCCCCCN1CCC2(CC1)NC(=O)NC2=O.
What is the InChIKey of 8-hexyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is XUCXIUDCTGBOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-2-3-4-5-8-16-9-6-13(7-10-16)11(17)14-12(18)15-13/h2-10H2,1H3,(H2,14,15,17,18).
What are the key properties of 8-hexyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-hexyl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 253.35 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hexyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 82098568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).