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

C17H32N4O2 — CID 26233119

IUPAC3-[2-(dimethylamino)ethyl]-1-ethyl-8-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCN1C(=O)N(CCN(C)C)C(=O)C12CCN(CC(C)C)CC2
InChIInChI=1S/C17H32N4O2/c1-6-21-16(23)20(12-11-18(4)5)15(22)17(21)7-9-19(10-8-17)13-14(2)3/h14H,6-13H2,1-5H3
InChIKeyVTZLBJOWNBDVDJ-UHFFFAOYSA-N
MW324.47 g/mol
LogP1.32
Rot. Bonds6

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

3-[2-(dimethylamino)ethyl]-1-ethyl-8-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 26233119) has the molecular formula C17H32N4O2 and a molecular weight of 324.47 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-1-ethyl-8-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-1-ethyl-8-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID26233119
Molecular FormulaC17H32N4O2
Molecular Weight324.47 g/mol
Exact Mass324.25
IUPAC Name3-[2-(dimethylamino)ethyl]-1-ethyl-8-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCN1C(=O)N(CCN(C)C)C(=O)C12CCN(CC(C)C)CC2
InChIInChI=1S/C17H32N4O2/c1-6-21-16(23)20(12-11-18(4)5)15(22)17(21)7-9-19(10-8-17)13-14(2)3/h14H,6-13H2,1-5H3
InChIKeyVTZLBJOWNBDVDJ-UHFFFAOYSA-N
XLogP1.32
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(dimethylamino)ethyl]-1-ethyl-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26220097
3-[2-(dimethylamino)ethyl]-1-ethyl-8-[[5-(hydroxymethyl)furan-2-yl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26220254
1-ethyl-8-(2-methylpropyl)-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26214490
3-[2-(dimethylamino)ethyl]-1-ethyl-8-(1-pyridin-3-ylpropan-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 45163207
3-[2-(dimethylamino)ethyl]-8-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26144350
8-(2,2-dimethylpropyl)-1-(3-methylbutyl)-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26214207
3-[2-(dimethylamino)ethyl]-8-[(3-methoxyphenyl)methyl]-1-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26224173
3-[2-(dimethylamino)ethyl]-8-(1H-indol-2-ylmethyl)-1-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26215296
8-(3-methylbutyl)-3-(2-methylpropyl)-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 23109321
8-[(2R)-2-methylbutyl]-1-(2-methylpropyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26137380
1-butyl-3-(2-methylpropyl)-8-(6-phenylhexyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 23109302
8-[(2R)-butan-2-yl]-1-methyl-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26145179

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl]-1-ethyl-8-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-1-ethyl-8-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 26233119) is 3-[2-(dimethylamino)ethyl]-1-ethyl-8-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-1-ethyl-8-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-1-ethyl-8-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is CCN1C(=O)N(CCN(C)C)C(=O)C12CCN(CC(C)C)CC2.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-1-ethyl-8-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is VTZLBJOWNBDVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O2/c1-6-21-16(23)20(12-11-18(4)5)15(22)17(21)7-9-19(10-8-17)13-14(2)3/h14H,6-13H2,1-5H3.
What are the key properties of 3-[2-(dimethylamino)ethyl]-1-ethyl-8-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
3-[2-(dimethylamino)ethyl]-1-ethyl-8-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 324.47 g/mol, XLogP of 1.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl]-1-ethyl-8-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 26233119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).