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

C12H21N3O2 — CID 62849667

IUPAC3-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC(C)CCN1C(=O)NC2(CCNCC2)C1=O
InChIInChI=1S/C12H21N3O2/c1-9(2)3-8-15-10(16)12(14-11(15)17)4-6-13-7-5-12/h9,13H,3-8H2,1-2H3,(H,14,17)
InChIKeyLQAMMGYBDNWKCB-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.71
Rot. Bonds3

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

3-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 62849667) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID62849667
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name3-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC(C)CCN1C(=O)NC2(CCNCC2)C1=O
InChIInChI=1S/C12H21N3O2/c1-9(2)3-8-15-10(16)12(14-11(15)17)4-6-13-7-5-12/h9,13H,3-8H2,1-2H3,(H,14,17)
InChIKeyLQAMMGYBDNWKCB-UHFFFAOYSA-N
XLogP0.71
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.71
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

3-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 62849845
3-methylbutyl 2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetate
CID 82098515
3-(4-hydroxybutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 62849673
4-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)butanoic acid
CID 82148969
3-[8-(3-methylbutyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]propanenitrile
CID 82148651
4-[8-(3-methylbutyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]butanoic acid
CID 82148990
2-[8-(3-methylbutyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetic acid
CID 82148052
methyl (2S)-3-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)-2-methylpropanoate
CID 59093855
3-(2,3-dihydroxypropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 18931375
4-hydroxy-3-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decan-2-one
CID 82098615
7-(3-methylbutyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 112598884
8-methyl-9-(3-methylbutyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64887057

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 62849667) is 3-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is CC(C)CCN1C(=O)NC2(CCNCC2)C1=O.
What is the InChIKey of 3-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is LQAMMGYBDNWKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-9(2)3-8-15-10(16)12(14-11(15)17)4-6-13-7-5-12/h9,13H,3-8H2,1-2H3,(H,14,17).
What are the key properties of 3-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
3-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 239.32 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 62849667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).