2-[1-oxaspiro[4.5]decan-2-ylmethyl(propyl)amino]ethanol

C15H29NO2 — CID 102848059

IUPAC2-[1-oxaspiro[4.5]decan-2-ylmethyl(propyl)amino]ethanol
SMILESCCCN(CCO)CC1CCC2(CCCCC2)O1
InChIInChI=1S/C15H29NO2/c1-2-10-16(11-12-17)13-14-6-9-15(18-14)7-4-3-5-8-15/h14,17H,2-13H2,1H3
InChIKeyALWORCQAGGLJFP-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.57
Rot. Bonds6

About 2-[1-oxaspiro[4.5]decan-2-ylmethyl(propyl)amino]ethanol

2-[1-oxaspiro[4.5]decan-2-ylmethyl(propyl)amino]ethanol (PubChem CID 102848059) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 2-[1-oxaspiro[4.5]decan-2-ylmethyl(propyl)amino]ethanol.

Molecular Properties

Compound Name2-[1-oxaspiro[4.5]decan-2-ylmethyl(propyl)amino]ethanol
PubChem CID102848059
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name2-[1-oxaspiro[4.5]decan-2-ylmethyl(propyl)amino]ethanol
SMILESCCCN(CCO)CC1CCC2(CCCCC2)O1
InChIInChI=1S/C15H29NO2/c1-2-10-16(11-12-17)13-14-6-9-15(18-14)7-4-3-5-8-15/h14,17H,2-13H2,1H3
InChIKeyALWORCQAGGLJFP-UHFFFAOYSA-N
XLogP2.57
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-oxaspiro[4.5]decan-2-ylmethyl(propyl)amino]ethanol?
The IUPAC name of 2-[1-oxaspiro[4.5]decan-2-ylmethyl(propyl)amino]ethanol (CID 102848059) is 2-[1-oxaspiro[4.5]decan-2-ylmethyl(propyl)amino]ethanol.
What is the SMILES notation for 2-[1-oxaspiro[4.5]decan-2-ylmethyl(propyl)amino]ethanol?
The canonical SMILES for 2-[1-oxaspiro[4.5]decan-2-ylmethyl(propyl)amino]ethanol is CCCN(CCO)CC1CCC2(CCCCC2)O1.
What is the InChIKey of 2-[1-oxaspiro[4.5]decan-2-ylmethyl(propyl)amino]ethanol?
The InChIKey is ALWORCQAGGLJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-2-10-16(11-12-17)13-14-6-9-15(18-14)7-4-3-5-8-15/h14,17H,2-13H2,1H3.
What are the key properties of 2-[1-oxaspiro[4.5]decan-2-ylmethyl(propyl)amino]ethanol?
2-[1-oxaspiro[4.5]decan-2-ylmethyl(propyl)amino]ethanol has a molecular weight of 255.40 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-oxaspiro[4.5]decan-2-ylmethyl(propyl)amino]ethanol is sourced from PubChem (CID 102848059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).