2-[methyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol

C12H23NO2 — CID 102900022

IUPAC2-[methyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol
SMILESCN(CCO)CC1CCC2(CCCC2)O1
InChIInChI=1S/C12H23NO2/c1-13(8-9-14)10-11-4-7-12(15-11)5-2-3-6-12/h11,14H,2-10H2,1H3
InChIKeyRDXLHVJKWBTTSR-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.40
Rot. Bonds4

About 2-[methyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol

2-[methyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol (PubChem CID 102900022) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-[methyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name2-[methyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol
PubChem CID102900022
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-[methyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol
SMILESCN(CCO)CC1CCC2(CCCC2)O1
InChIInChI=1S/C12H23NO2/c1-13(8-9-14)10-11-4-7-12(15-11)5-2-3-6-12/h11,14H,2-10H2,1H3
InChIKeyRDXLHVJKWBTTSR-UHFFFAOYSA-N
XLogP1.40
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol?
The IUPAC name of 2-[methyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol (CID 102900022) is 2-[methyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol.
What is the SMILES notation for 2-[methyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol?
The canonical SMILES for 2-[methyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol is CN(CCO)CC1CCC2(CCCC2)O1.
What is the InChIKey of 2-[methyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol?
The InChIKey is RDXLHVJKWBTTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-13(8-9-14)10-11-4-7-12(15-11)5-2-3-6-12/h11,14H,2-10H2,1H3.
What are the key properties of 2-[methyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol?
2-[methyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol has a molecular weight of 213.32 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol is sourced from PubChem (CID 102900022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).