3-ethyl-6,6-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride

C11H20ClN3O2 — CID 135240843

IUPAC3-ethyl-6,6-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride
SMILESCCN1C(=O)NC2(CCNCC2(C)C)C1=O.Cl
InChIInChI=1S/C11H19N3O2.ClH/c1-4-14-8(15)11(13-9(14)16)5-6-12-7-10(11,2)3;/h12H,4-7H2,1-3H3,(H,13,16);1H
InChIKeyWUNPSFJIXZEEAV-UHFFFAOYSA-N
MW261.75 g/mol
LogP0.74
Rot. Bonds1

About 3-ethyl-6,6-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride

3-ethyl-6,6-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride (PubChem CID 135240843) has the molecular formula C11H20ClN3O2 and a molecular weight of 261.75 g/mol. Its IUPAC name is 3-ethyl-6,6-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride.

Molecular Properties

Compound Name3-ethyl-6,6-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride
PubChem CID135240843
Molecular FormulaC11H20ClN3O2
Molecular Weight261.75 g/mol
Exact Mass261.12
IUPAC Name3-ethyl-6,6-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride
SMILESCCN1C(=O)NC2(CCNCC2(C)C)C1=O.Cl
InChIInChI=1S/C11H19N3O2.ClH/c1-4-14-8(15)11(13-9(14)16)5-6-12-7-10(11,2)3;/h12H,4-7H2,1-3H3,(H,13,16);1H
InChIKeyWUNPSFJIXZEEAV-UHFFFAOYSA-N
XLogP0.74
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5S)-6,6-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 134828274
3-ethyl-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
CID 78924545
3-ethyl-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 60642768
3-ethyl-3,9-diazaspiro[5.5]undecane-2,4-dione
CID 20622599
2-methyl-2,7-diazaspiro[3.5]nonan-3-one;hydrochloride
CID 135392414
(5R)-2-methyl-2,7-diazaspiro[4.4]nonan-1-one
CID 124537264
1-ethylspiro[indole-3,3'-pyrrolidine]-2-one
CID 121199787
3-ethyl-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione
CID 127013226
ethane;2-methyl-2,7-diazaspiro[4.4]nonan-1-one
CID 166077351
2-ethyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one;hydrochloride
CID 155830778
3-ethyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-2-one;hydrochloride
CID 120899902
2-butyl-2,8-diazaspiro[4.5]decan-1-one
CID 117003109

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6,6-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride?
The IUPAC name of 3-ethyl-6,6-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride (CID 135240843) is 3-ethyl-6,6-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride.
What is the SMILES notation for 3-ethyl-6,6-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride?
The canonical SMILES for 3-ethyl-6,6-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride is CCN1C(=O)NC2(CCNCC2(C)C)C1=O.Cl.
What is the InChIKey of 3-ethyl-6,6-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride?
The InChIKey is WUNPSFJIXZEEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2.ClH/c1-4-14-8(15)11(13-9(14)16)5-6-12-7-10(11,2)3;/h12H,4-7H2,1-3H3,(H,13,16);1H.
What are the key properties of 3-ethyl-6,6-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride?
3-ethyl-6,6-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride has a molecular weight of 261.75 g/mol, XLogP of 0.74, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6,6-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride is sourced from PubChem (CID 135240843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).