8-butan-2-yl-1-methyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione

C15H27N3O2 — CID 45164484

IUPAC8-butan-2-yl-1-methyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCC(C)N1CCC2(CC1)C(=O)N(C(C)C)C(=O)N2C
InChIInChI=1S/C15H27N3O2/c1-6-12(4)17-9-7-15(8-10-17)13(19)18(11(2)3)14(20)16(15)5/h11-12H,6-10H2,1-5H3
InChIKeyCLVWFUGBJSTTIN-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.92
Rot. Bonds3

About 8-butan-2-yl-1-methyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-butan-2-yl-1-methyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 45164484) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 8-butan-2-yl-1-methyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-butan-2-yl-1-methyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID45164484
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name8-butan-2-yl-1-methyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCC(C)N1CCC2(CC1)C(=O)N(C(C)C)C(=O)N2C
InChIInChI=1S/C15H27N3O2/c1-6-12(4)17-9-7-15(8-10-17)13(19)18(11(2)3)14(20)16(15)5/h11-12H,6-10H2,1-5H3
InChIKeyCLVWFUGBJSTTIN-UHFFFAOYSA-N
XLogP1.92
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 8-butan-2-yl-1-methyl-3-propan-2-yl-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-[(2R)-butan-2-yl]-1-methyl-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26145179
3-benzyl-8-[(2S)-butan-2-yl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26224764
1,3-dimethyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166054973
8-(1-benzofuran-2-ylmethyl)-1-methyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26143522
8-[(9-ethylcarbazol-3-yl)methyl]-1-methyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26222110
8-(9H-fluoren-2-ylmethyl)-1-methyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26134808
3-benzyl-8-[(2R)-1-hydroxypropan-2-yl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26141030
1-ethyl-3-methyl-8-[(2S)-1-methylsulfanylpropan-2-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26221856
methyl 2-[8-butan-2-yl-2,4-dioxo-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetate
CID 45163960
1-methyl-8-propan-2-yl-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26233644
8-[(2R)-1-hydroxypropan-2-yl]-1-methyl-3-(naphthalen-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26214040
1-butan-2-yl-4-tert-butyl-4-methylpiperidine
CID 174167928

Frequently Asked Questions

What is the IUPAC name of 8-butan-2-yl-1-methyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-butan-2-yl-1-methyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 45164484) is 8-butan-2-yl-1-methyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-butan-2-yl-1-methyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-butan-2-yl-1-methyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione is CCC(C)N1CCC2(CC1)C(=O)N(C(C)C)C(=O)N2C.
What is the InChIKey of 8-butan-2-yl-1-methyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is CLVWFUGBJSTTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-6-12(4)17-9-7-15(8-10-17)13(19)18(11(2)3)14(20)16(15)5/h11-12H,6-10H2,1-5H3.
What are the key properties of 8-butan-2-yl-1-methyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-butan-2-yl-1-methyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 281.40 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-butan-2-yl-1-methyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 45164484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).