3,8-di(propan-2-yl)-1,3-diazaspiro[4.5]decane-2,4-dione

C14H24N2O2 — CID 166023004

IUPAC3,8-di(propan-2-yl)-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC(C)C1CCC2(CC1)NC(=O)N(C(C)C)C2=O
InChIInChI=1S/C14H24N2O2/c1-9(2)11-5-7-14(8-6-11)12(17)16(10(3)4)13(18)15-14/h9-11H,5-8H2,1-4H3,(H,15,18)
InChIKeyHGPMQDQEUSNLRC-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.53
Rot. Bonds2

About 3,8-di(propan-2-yl)-1,3-diazaspiro[4.5]decane-2,4-dione

3,8-di(propan-2-yl)-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 166023004) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 3,8-di(propan-2-yl)-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3,8-di(propan-2-yl)-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID166023004
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name3,8-di(propan-2-yl)-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC(C)C1CCC2(CC1)NC(=O)N(C(C)C)C2=O
InChIInChI=1S/C14H24N2O2/c1-9(2)11-5-7-14(8-6-11)12(17)16(10(3)4)13(18)15-14/h9-11H,5-8H2,1-4H3,(H,15,18)
InChIKeyHGPMQDQEUSNLRC-UHFFFAOYSA-N
XLogP2.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8-(3-methylbutanoyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110493938
(5S,8R)-8-propan-2-yl-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 177290980
8-(4-fluorophenyl)sulfonyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110504335
(2R)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoic acid
CID 51664154
4-amino-8-propan-2-yl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79960233
3-(1-aminopentan-3-yl)-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 43428369
2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)-3-methylbutanoic acid
CID 82149091
3-tert-butyl-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 61289943
8-[2-(4-bromophenyl)acetyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110494059
8-[2-(1,3-dioxoisoindol-2-yl)propanoyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110494007
8-[(E)-3-(4-methylphenyl)prop-2-enoyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110494021
5-methyl-3-propan-2-yl-5-sulfanylimidazolidine-2,4-dione
CID 87233918

Frequently Asked Questions

What is the IUPAC name of 3,8-di(propan-2-yl)-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3,8-di(propan-2-yl)-1,3-diazaspiro[4.5]decane-2,4-dione (CID 166023004) is 3,8-di(propan-2-yl)-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3,8-di(propan-2-yl)-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3,8-di(propan-2-yl)-1,3-diazaspiro[4.5]decane-2,4-dione is CC(C)C1CCC2(CC1)NC(=O)N(C(C)C)C2=O.
What is the InChIKey of 3,8-di(propan-2-yl)-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is HGPMQDQEUSNLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-9(2)11-5-7-14(8-6-11)12(17)16(10(3)4)13(18)15-14/h9-11H,5-8H2,1-4H3,(H,15,18).
What are the key properties of 3,8-di(propan-2-yl)-1,3-diazaspiro[4.5]decane-2,4-dione?
3,8-di(propan-2-yl)-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 252.36 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-di(propan-2-yl)-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 166023004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).