2-(2,6-dioxaspiro[4.5]decan-9-ylamino)ethanol

C10H19NO3 — CID 79898418

IUPAC2-(2,6-dioxaspiro[4.5]decan-9-ylamino)ethanol
SMILESOCCNC1CCOC2(CCOC2)C1
InChIInChI=1S/C10H19NO3/c12-4-3-11-9-1-5-14-10(7-9)2-6-13-8-10/h9,11-12H,1-8H2
InChIKeyRHZDSHPPVCRCBG-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.09
Rot. Bonds3

About 2-(2,6-dioxaspiro[4.5]decan-9-ylamino)ethanol

2-(2,6-dioxaspiro[4.5]decan-9-ylamino)ethanol (PubChem CID 79898418) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-(2,6-dioxaspiro[4.5]decan-9-ylamino)ethanol.

Molecular Properties

Compound Name2-(2,6-dioxaspiro[4.5]decan-9-ylamino)ethanol
PubChem CID79898418
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name2-(2,6-dioxaspiro[4.5]decan-9-ylamino)ethanol
SMILESOCCNC1CCOC2(CCOC2)C1
InChIInChI=1S/C10H19NO3/c12-4-3-11-9-1-5-14-10(7-9)2-6-13-8-10/h9,11-12H,1-8H2
InChIKeyRHZDSHPPVCRCBG-UHFFFAOYSA-N
XLogP-0.09
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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CID 105910147
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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxaspiro[4.5]decan-9-ylamino)ethanol?
The IUPAC name of 2-(2,6-dioxaspiro[4.5]decan-9-ylamino)ethanol (CID 79898418) is 2-(2,6-dioxaspiro[4.5]decan-9-ylamino)ethanol.
What is the SMILES notation for 2-(2,6-dioxaspiro[4.5]decan-9-ylamino)ethanol?
The canonical SMILES for 2-(2,6-dioxaspiro[4.5]decan-9-ylamino)ethanol is OCCNC1CCOC2(CCOC2)C1.
What is the InChIKey of 2-(2,6-dioxaspiro[4.5]decan-9-ylamino)ethanol?
The InChIKey is RHZDSHPPVCRCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c12-4-3-11-9-1-5-14-10(7-9)2-6-13-8-10/h9,11-12H,1-8H2.
What are the key properties of 2-(2,6-dioxaspiro[4.5]decan-9-ylamino)ethanol?
2-(2,6-dioxaspiro[4.5]decan-9-ylamino)ethanol has a molecular weight of 201.27 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxaspiro[4.5]decan-9-ylamino)ethanol is sourced from PubChem (CID 79898418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).