1-cyclopropyl-2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethanol

C13H23NO3 — CID 55172935

IUPAC1-cyclopropyl-2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethanol
SMILESOC(CNC1CCC2(CC1)OCCO2)C1CC1
InChIInChI=1S/C13H23NO3/c15-12(10-1-2-10)9-14-11-3-5-13(6-4-11)16-7-8-17-13/h10-12,14-15H,1-9H2
InChIKeyXWMAVMDISSXALH-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.03
Rot. Bonds4

About 1-cyclopropyl-2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethanol

1-cyclopropyl-2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethanol (PubChem CID 55172935) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-cyclopropyl-2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethanol
PubChem CID55172935
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name1-cyclopropyl-2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethanol
SMILESOC(CNC1CCC2(CC1)OCCO2)C1CC1
InChIInChI=1S/C13H23NO3/c15-12(10-1-2-10)9-14-11-3-5-13(6-4-11)16-7-8-17-13/h10-12,14-15H,1-9H2
InChIKeyXWMAVMDISSXALH-UHFFFAOYSA-N
XLogP1.03
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-cyclopropyl-2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethanol?
The IUPAC name of 1-cyclopropyl-2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethanol (CID 55172935) is 1-cyclopropyl-2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethanol.
What is the SMILES notation for 1-cyclopropyl-2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethanol?
The canonical SMILES for 1-cyclopropyl-2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethanol is OC(CNC1CCC2(CC1)OCCO2)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethanol?
The InChIKey is XWMAVMDISSXALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c15-12(10-1-2-10)9-14-11-3-5-13(6-4-11)16-7-8-17-13/h10-12,14-15H,1-9H2.
What are the key properties of 1-cyclopropyl-2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethanol?
1-cyclopropyl-2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethanol has a molecular weight of 241.33 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethanol is sourced from PubChem (CID 55172935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).