3-ethyl-1-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C14H25N3O2 — CID 118759421

IUPAC3-ethyl-1-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCN1C(=O)N(CCC(C)C)C2(CCNCC2)C1=O
InChIInChI=1S/C14H25N3O2/c1-4-16-12(18)14(6-8-15-9-7-14)17(13(16)19)10-5-11(2)3/h11,15H,4-10H2,1-3H3
InChIKeyVJGCYLYWZYIRIO-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.44
Rot. Bonds4

About 3-ethyl-1-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

3-ethyl-1-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 118759421) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-ethyl-1-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-ethyl-1-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID118759421
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name3-ethyl-1-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCN1C(=O)N(CCC(C)C)C2(CCNCC2)C1=O
InChIInChI=1S/C14H25N3O2/c1-4-16-12(18)14(6-8-15-9-7-14)17(13(16)19)10-5-11(2)3/h11,15H,4-10H2,1-3H3
InChIKeyVJGCYLYWZYIRIO-UHFFFAOYSA-N
XLogP1.44
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3,8-Triazaspiro(4.5)decane-2,4-dione, 8-acetyl-3-dodecyl-7,7,9,9-tetramethyl-
CID 93474
1-[2-(Cyclopentylcarbamoylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 2426524
5,5-Dimethyl-3-(piperazin-1-ylmethyl)imidazolidine-2,4-dione
CID 6501454
1,3,8-Triazaspiro(4.5)decane-2,4-dione, 8-methyl-
CID 2302260
1,3,8-Triazaspiro[4.5]decane-2,4-dione
CID 120989
3-[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 4682145
8-Methyl-3-(2-oxo-propyl)-1-propyl-1,3,8-triaza-spiro[4.5]decan-4-one
CID 44337466
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
5,5-Dimethyl-3-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 24982466
(5R)-6,8,9-Trimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 5389126
3-Cyclopentyl-5-isopropyl-imidazolidine-2,4-dione
CID 5273848

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-ethyl-1-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 118759421) is 3-ethyl-1-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-ethyl-1-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-ethyl-1-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is CCN1C(=O)N(CCC(C)C)C2(CCNCC2)C1=O.
What is the InChIKey of 3-ethyl-1-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is VJGCYLYWZYIRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-4-16-12(18)14(6-8-15-9-7-14)17(13(16)19)10-5-11(2)3/h11,15H,4-10H2,1-3H3.
What are the key properties of 3-ethyl-1-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
3-ethyl-1-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 267.37 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 118759421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).