3-[8-(3-methylbutyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]propanenitrile

C15H24N4O2 — CID 82148651

IUPAC3-[8-(3-methylbutyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]propanenitrile
SMILESCC(C)CCN1CCC2(CC1)NC(=O)N(CCC#N)C2=O
InChIInChI=1S/C15H24N4O2/c1-12(2)4-9-18-10-5-15(6-11-18)13(20)19(8-3-7-16)14(21)17-15/h12H,3-6,8-11H2,1-2H3,(H,17,21)
InChIKeyOFGJWNFBGPWAFF-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.33
Rot. Bonds5

About 3-[8-(3-methylbutyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]propanenitrile

3-[8-(3-methylbutyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]propanenitrile (PubChem CID 82148651) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-[8-(3-methylbutyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]propanenitrile.

Molecular Properties

Compound Name3-[8-(3-methylbutyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]propanenitrile
PubChem CID82148651
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name3-[8-(3-methylbutyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]propanenitrile
SMILESCC(C)CCN1CCC2(CC1)NC(=O)N(CCC#N)C2=O
InChIInChI=1S/C15H24N4O2/c1-12(2)4-9-18-10-5-15(6-11-18)13(20)19(8-3-7-16)14(21)17-15/h12H,3-6,8-11H2,1-2H3,(H,17,21)
InChIKeyOFGJWNFBGPWAFF-UHFFFAOYSA-N
XLogP1.33
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(8-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propanenitrile
CID 82148650
2-[8-(3-methylbutyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetic acid
CID 82148052
4-[8-(3-methylbutyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]butanoic acid
CID 82148990
3-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 62849667
3-[8-(2-hydroxyethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]-2-methylpropanenitrile
CID 82148265
2-[8-(3-hydroxypropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetonitrile
CID 82148335
3-(9-benzyl-2,4-dioxo-1,3,9-triazaspiro[4.5]decan-3-yl)propanenitrile
CID 47090391
2-[8-(2-methylprop-2-enyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetonitrile
CID 82148331
3-[[di(propan-2-yl)amino]methyl]-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 13424778
3-(2-aminoethyl)-8-pentyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 82147866
2-(2,4-dioxo-8-prop-2-enyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetonitrile
CID 82148319
2-[3-(2-hydroxyethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-N-(2-methylpropyl)acetamide
CID 82148746

Frequently Asked Questions

What is the IUPAC name of 3-[8-(3-methylbutyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]propanenitrile?
The IUPAC name of 3-[8-(3-methylbutyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]propanenitrile (CID 82148651) is 3-[8-(3-methylbutyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]propanenitrile.
What is the SMILES notation for 3-[8-(3-methylbutyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]propanenitrile?
The canonical SMILES for 3-[8-(3-methylbutyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]propanenitrile is CC(C)CCN1CCC2(CC1)NC(=O)N(CCC#N)C2=O.
What is the InChIKey of 3-[8-(3-methylbutyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]propanenitrile?
The InChIKey is OFGJWNFBGPWAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-12(2)4-9-18-10-5-15(6-11-18)13(20)19(8-3-7-16)14(21)17-15/h12H,3-6,8-11H2,1-2H3,(H,17,21).
What are the key properties of 3-[8-(3-methylbutyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]propanenitrile?
3-[8-(3-methylbutyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]propanenitrile has a molecular weight of 292.38 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-(3-methylbutyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]propanenitrile is sourced from PubChem (CID 82148651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).