9-[2-(dimethylamino)propyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione

C13H21N3O3 — CID 112599987

IUPAC9-[2-(dimethylamino)propyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione
SMILESCC(CN1C(=O)NC(=O)C2(CCCC2)C1=O)N(C)C
InChIInChI=1S/C13H21N3O3/c1-9(15(2)3)8-16-11(18)13(6-4-5-7-13)10(17)14-12(16)19/h9H,4-8H2,1-3H3,(H,14,17,19)
InChIKeyJMZQREUSEZMUMD-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.58
Rot. Bonds3

About 9-[2-(dimethylamino)propyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione

9-[2-(dimethylamino)propyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione (PubChem CID 112599987) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 9-[2-(dimethylamino)propyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione.

Molecular Properties

Compound Name9-[2-(dimethylamino)propyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione
PubChem CID112599987
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name9-[2-(dimethylamino)propyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione
SMILESCC(CN1C(=O)NC(=O)C2(CCCC2)C1=O)N(C)C
InChIInChI=1S/C13H21N3O3/c1-9(15(2)3)8-16-11(18)13(6-4-5-7-13)10(17)14-12(16)19/h9H,4-8H2,1-3H3,(H,14,17,19)
InChIKeyJMZQREUSEZMUMD-UHFFFAOYSA-N
XLogP0.58
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

4-[2-(dimethylamino)propyl]-2,4-diazaspiro[5.6]dodecane-1,3,5-trione
CID 115947356
9-(2,3,3-trimethylbutyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 115949090
8-(2,3-dimethylbutyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 112600986
1-[2-(dimethylamino)propyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione
CID 112599989
8-(2-methoxypropyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 102702120
7-(2-piperidin-1-ylpropyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 115947575
N,N-dimethyl-3-(6,8,10-trioxo-7,9-diazaspiro[4.5]decan-9-yl)propanamide
CID 115947283
9-(4-methylpentan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 112599241
8-(2-propan-2-yloxyethyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 104767891
7-(3-methylbutyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 112598884
4-(2-methoxyethyl)-2,4-diazaspiro[5.6]dodecane-1,3,5-trione
CID 112598636
9-heptan-2-yl-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 115947707

Frequently Asked Questions

What is the IUPAC name of 9-[2-(dimethylamino)propyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione?
The IUPAC name of 9-[2-(dimethylamino)propyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione (CID 112599987) is 9-[2-(dimethylamino)propyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione.
What is the SMILES notation for 9-[2-(dimethylamino)propyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione?
The canonical SMILES for 9-[2-(dimethylamino)propyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione is CC(CN1C(=O)NC(=O)C2(CCCC2)C1=O)N(C)C.
What is the InChIKey of 9-[2-(dimethylamino)propyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione?
The InChIKey is JMZQREUSEZMUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-9(15(2)3)8-16-11(18)13(6-4-5-7-13)10(17)14-12(16)19/h9H,4-8H2,1-3H3,(H,14,17,19).
What are the key properties of 9-[2-(dimethylamino)propyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione?
9-[2-(dimethylamino)propyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione has a molecular weight of 267.33 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(dimethylamino)propyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione is sourced from PubChem (CID 112599987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).