7-amino-1,4-dioxaspiro[4.5]decan-8-ol

C8H15NO3 — CID 76655508

IUPAC7-amino-1,4-dioxaspiro[4.5]decan-8-ol
SMILESNC1CC2(CCC1O)OCCO2
InChIInChI=1S/C8H15NO3/c9-6-5-8(2-1-7(6)10)11-3-4-12-8/h6-7,10H,1-5,9H2
InChIKeyFGTDXDGJLWGDLI-UHFFFAOYSA-N
MW173.21 g/mol
LogP-0.40
Rot. Bonds

About 7-amino-1,4-dioxaspiro[4.5]decan-8-ol

7-amino-1,4-dioxaspiro[4.5]decan-8-ol (PubChem CID 76655508) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 7-amino-1,4-dioxaspiro[4.5]decan-8-ol.

Molecular Properties

Compound Name7-amino-1,4-dioxaspiro[4.5]decan-8-ol
PubChem CID76655508
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name7-amino-1,4-dioxaspiro[4.5]decan-8-ol
SMILESNC1CC2(CCC1O)OCCO2
InChIInChI=1S/C8H15NO3/c9-6-5-8(2-1-7(6)10)11-3-4-12-8/h6-7,10H,1-5,9H2
InChIKeyFGTDXDGJLWGDLI-UHFFFAOYSA-N
XLogP-0.40
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(8R)-1,4-dioxaspiro[4.4]nonan-8-amine
CID 95431886
(7R,8S)-8-amino-1,4-dioxaspiro[4.5]decane-7-carboxylic acid
CID 87436012
(7S,8S)-7-pyrrolidin-1-yl-1,4-dioxaspiro[4.5]decan-8-ol
CID 15177770
(7S,8R)-8-tert-butyl-1,4-dioxaspiro[4.5]decan-7-ol
CID 121001600
7-(3,4-dimethylpyrrolidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-ol
CID 79183815
cis-(1R,2S)-2-amino-4,4-dimethylcyclohexan-1-ol
CID 55291251
(8S)-1,4-dioxaspiro[4.4]nonane-8-carboxamide
CID 158487306
7-(1,3-dihydroisoindol-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol
CID 62230991
7-(4,4-dimethylpiperidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 55156891
(4'aR,8'aS)-spiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydro-1H-naphthalene]-2'-amine
CID 10013382
spiro[1,2,3,3a,4,5,7,7a-octahydroisoindole-6,2'-1,3-dioxolane]
CID 149093719
7,8-ditert-butyl-1,4-dioxaspiro[4.5]decane
CID 20747800

Frequently Asked Questions

What is the IUPAC name of 7-amino-1,4-dioxaspiro[4.5]decan-8-ol?
The IUPAC name of 7-amino-1,4-dioxaspiro[4.5]decan-8-ol (CID 76655508) is 7-amino-1,4-dioxaspiro[4.5]decan-8-ol.
What is the SMILES notation for 7-amino-1,4-dioxaspiro[4.5]decan-8-ol?
The canonical SMILES for 7-amino-1,4-dioxaspiro[4.5]decan-8-ol is NC1CC2(CCC1O)OCCO2.
What is the InChIKey of 7-amino-1,4-dioxaspiro[4.5]decan-8-ol?
The InChIKey is FGTDXDGJLWGDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c9-6-5-8(2-1-7(6)10)11-3-4-12-8/h6-7,10H,1-5,9H2.
What are the key properties of 7-amino-1,4-dioxaspiro[4.5]decan-8-ol?
7-amino-1,4-dioxaspiro[4.5]decan-8-ol has a molecular weight of 173.21 g/mol, XLogP of -0.40, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1,4-dioxaspiro[4.5]decan-8-ol is sourced from PubChem (CID 76655508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).