7,7,9,9-tetramethyl-3-octyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

C19H35N3O2 — CID 11267711

IUPAC7,7,9,9-tetramethyl-3-octyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCCCCCCCN1C(=O)NC2(CC(C)(C)NC(C)(C)C2)C1=O
InChIInChI=1S/C19H35N3O2/c1-6-7-8-9-10-11-12-22-15(23)19(20-16(22)24)13-17(2,3)21-18(4,5)14-19/h21H,6-14H2,1-5H3,(H,20,24)
InChIKeyVPOKLVDHXARWQB-UHFFFAOYSA-N
MW337.51 g/mol
LogP3.58
Rot. Bonds7

About 7,7,9,9-tetramethyl-3-octyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

7,7,9,9-tetramethyl-3-octyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 11267711) has the molecular formula C19H35N3O2 and a molecular weight of 337.51 g/mol. Its IUPAC name is 7,7,9,9-tetramethyl-3-octyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name7,7,9,9-tetramethyl-3-octyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID11267711
Molecular FormulaC19H35N3O2
Molecular Weight337.51 g/mol
Exact Mass337.27
IUPAC Name7,7,9,9-tetramethyl-3-octyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCCCCCCCN1C(=O)NC2(CC(C)(C)NC(C)(C)C2)C1=O
InChIInChI=1S/C19H35N3O2/c1-6-7-8-9-10-11-12-22-15(23)19(20-16(22)24)13-17(2,3)21-18(4,5)14-19/h21H,6-14H2,1-5H3,(H,20,24)
InChIKeyVPOKLVDHXARWQB-UHFFFAOYSA-N
XLogP3.58
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 53.58
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 7,7,9,9-tetramethyl-3-octyl-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

7,7,9,9-Tetramethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 1268066
1,3,8-Triazaspiro(4.5)decane-2,4-dione, 8-acetyl-3-dodecyl-7,7,9,9-tetramethyl-
CID 93474
3-(2-Oxo-2-piperidin-1-ylethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 2701874
4-Imidazolidinone, 1-cyclohexyl-3-(2,2,6,6-tetramethyl-4-piperidinyl)-
CID 729651
1,3,8-Triazaspiro(4.5)decane-2,4-dione, 8-methyl-
CID 2302260
3-[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 4682145
6,8,9-Trimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 607189
3-Methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione hydrochloride
CID 18931313
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N,N-di(propan-2-yl)acetamide
CID 2578454
3-[2-(4-Methylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 2701873
3-[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 4178426
3-[2-(3,5-Dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 16305220

Frequently Asked Questions

What is the IUPAC name of 7,7,9,9-tetramethyl-3-octyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 7,7,9,9-tetramethyl-3-octyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 11267711) is 7,7,9,9-tetramethyl-3-octyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 7,7,9,9-tetramethyl-3-octyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 7,7,9,9-tetramethyl-3-octyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is CCCCCCCCN1C(=O)NC2(CC(C)(C)NC(C)(C)C2)C1=O.
What is the InChIKey of 7,7,9,9-tetramethyl-3-octyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is VPOKLVDHXARWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O2/c1-6-7-8-9-10-11-12-22-15(23)19(20-16(22)24)13-17(2,3)21-18(4,5)14-19/h21H,6-14H2,1-5H3,(H,20,24).
What are the key properties of 7,7,9,9-tetramethyl-3-octyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
7,7,9,9-tetramethyl-3-octyl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 337.51 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,9,9-tetramethyl-3-octyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 11267711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).