3-hexyl-4-hydroxy-1,3,8-triazaspiro[4.5]decan-2-one

C13H25N3O2 — CID 82098609

IUPAC3-hexyl-4-hydroxy-1,3,8-triazaspiro[4.5]decan-2-one
SMILESCCCCCCN1C(=O)NC2(CCNCC2)C1O
InChIInChI=1S/C13H25N3O2/c1-2-3-4-5-10-16-11(17)13(15-12(16)18)6-8-14-9-7-13/h11,14,17H,2-10H2,1H3,(H,15,18)
InChIKeyNFYKZIKVJKNBJO-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.03
Rot. Bonds5

About 3-hexyl-4-hydroxy-1,3,8-triazaspiro[4.5]decan-2-one

3-hexyl-4-hydroxy-1,3,8-triazaspiro[4.5]decan-2-one (PubChem CID 82098609) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 3-hexyl-4-hydroxy-1,3,8-triazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-hexyl-4-hydroxy-1,3,8-triazaspiro[4.5]decan-2-one
PubChem CID82098609
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name3-hexyl-4-hydroxy-1,3,8-triazaspiro[4.5]decan-2-one
SMILESCCCCCCN1C(=O)NC2(CCNCC2)C1O
InChIInChI=1S/C13H25N3O2/c1-2-3-4-5-10-16-11(17)13(15-12(16)18)6-8-14-9-7-13/h11,14,17H,2-10H2,1H3,(H,15,18)
InChIKeyNFYKZIKVJKNBJO-UHFFFAOYSA-N
XLogP1.03
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 13436733
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CID 82098622
4-hydroxy-3-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decan-2-one
CID 82098615
1-(4-ethylpiperidin-4-yl)octan-1-one
CID 116567975
(3R,4R)-3,4-dihydroxy-1-octylpyrrolidine-2,5-dione
CID 14669715
8-methyl-9-octyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64886104
1-heptyl-5-oxopyrrolidine-2-carboxylic acid
CID 19002593
5-hydroxy-1-pentylpyrrolidin-2-one
CID 14686205
1-heptyl-2-hydroxy-2H-pyrrol-5-one
CID 14479801
3,3,7-trimethyl-1-nonyl-1,4-diazepane-2,5-dione
CID 64884576
1-hexyl-3,3,7-trimethyl-1,4-diazepane-2,5-dione
CID 64883585
4-ethyl-N-octylpiperidine-4-carboxamide
CID 115567946

Frequently Asked Questions

What is the IUPAC name of 3-hexyl-4-hydroxy-1,3,8-triazaspiro[4.5]decan-2-one?
The IUPAC name of 3-hexyl-4-hydroxy-1,3,8-triazaspiro[4.5]decan-2-one (CID 82098609) is 3-hexyl-4-hydroxy-1,3,8-triazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-hexyl-4-hydroxy-1,3,8-triazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-hexyl-4-hydroxy-1,3,8-triazaspiro[4.5]decan-2-one is CCCCCCN1C(=O)NC2(CCNCC2)C1O.
What is the InChIKey of 3-hexyl-4-hydroxy-1,3,8-triazaspiro[4.5]decan-2-one?
The InChIKey is NFYKZIKVJKNBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-2-3-4-5-10-16-11(17)13(15-12(16)18)6-8-14-9-7-13/h11,14,17H,2-10H2,1H3,(H,15,18).
What are the key properties of 3-hexyl-4-hydroxy-1,3,8-triazaspiro[4.5]decan-2-one?
3-hexyl-4-hydroxy-1,3,8-triazaspiro[4.5]decan-2-one has a molecular weight of 255.36 g/mol, XLogP of 1.03, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexyl-4-hydroxy-1,3,8-triazaspiro[4.5]decan-2-one is sourced from PubChem (CID 82098609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).