4-hydroxy-3-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decan-2-one

C12H23N3O2 — CID 82098615

IUPAC4-hydroxy-3-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decan-2-one
SMILESCC(C)CCN1C(=O)NC2(CCNCC2)C1O
InChIInChI=1S/C12H23N3O2/c1-9(2)3-8-15-10(16)12(14-11(15)17)4-6-13-7-5-12/h9-10,13,16H,3-8H2,1-2H3,(H,14,17)
InChIKeySXEMXNUWYZMYIH-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.50
Rot. Bonds3

About 4-hydroxy-3-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decan-2-one

4-hydroxy-3-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decan-2-one (PubChem CID 82098615) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-hydroxy-3-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name4-hydroxy-3-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decan-2-one
PubChem CID82098615
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name4-hydroxy-3-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decan-2-one
SMILESCC(C)CCN1C(=O)NC2(CCNCC2)C1O
InChIInChI=1S/C12H23N3O2/c1-9(2)3-8-15-10(16)12(14-11(15)17)4-6-13-7-5-12/h9-10,13,16H,3-8H2,1-2H3,(H,14,17)
InChIKeySXEMXNUWYZMYIH-UHFFFAOYSA-N
XLogP0.50
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-3-(2-hydroxyethyl)-1,3,8-triazaspiro[4.5]decan-2-one
CID 82098622
3-hexyl-4-hydroxy-1,3,8-triazaspiro[4.5]decan-2-one
CID 82098609
3-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 62849667
3-butyl-4-hydroxy-1,3-diazaspiro[4.6]undecan-2-one
CID 13436733
8-methyl-9-(3-methylbutyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64887057
1-(4-ethylpiperidin-4-yl)-4-methylpentan-1-one
CID 116567943
7-(3-methylbutyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 112598884
3-methylbutyl 2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetate
CID 82098515
3,3,7-trimethyl-1-(3-methylbutyl)-1,4-diazepane-2,5-dione
CID 64883002
2-(3-methylbutyl)-2,8-diazaspiro[4.5]decane
CID 82470794
4-(4-methylpentyl)piperazine-2,6-dione
CID 63788739
2-(3-oxo-1-propan-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)acetamide
CID 171080839

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decan-2-one?
The IUPAC name of 4-hydroxy-3-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decan-2-one (CID 82098615) is 4-hydroxy-3-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decan-2-one.
What is the SMILES notation for 4-hydroxy-3-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decan-2-one?
The canonical SMILES for 4-hydroxy-3-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decan-2-one is CC(C)CCN1C(=O)NC2(CCNCC2)C1O.
What is the InChIKey of 4-hydroxy-3-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decan-2-one?
The InChIKey is SXEMXNUWYZMYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-9(2)3-8-15-10(16)12(14-11(15)17)4-6-13-7-5-12/h9-10,13,16H,3-8H2,1-2H3,(H,14,17).
What are the key properties of 4-hydroxy-3-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decan-2-one?
4-hydroxy-3-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decan-2-one has a molecular weight of 241.33 g/mol, XLogP of 0.50, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decan-2-one is sourced from PubChem (CID 82098615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).