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

C14H25NO2 — CID 102900020

IUPAC2-[cyclopropyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol
SMILESOCCN(CC1CCC2(CCCC2)O1)C1CC1
InChIInChI=1S/C14H25NO2/c16-10-9-15(12-3-4-12)11-13-5-8-14(17-13)6-1-2-7-14/h12-13,16H,1-11H2
InChIKeyZJLALELWXRHMBC-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.93
Rot. Bonds5

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

2-[cyclopropyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol (PubChem CID 102900020) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-[cyclopropyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name2-[cyclopropyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol
PubChem CID102900020
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name2-[cyclopropyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol
SMILESOCCN(CC1CCC2(CCCC2)O1)C1CC1
InChIInChI=1S/C14H25NO2/c16-10-9-15(12-3-4-12)11-13-5-8-14(17-13)6-1-2-7-14/h12-13,16H,1-11H2
InChIKeyZJLALELWXRHMBC-UHFFFAOYSA-N
XLogP1.93
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol?
The IUPAC name of 2-[cyclopropyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol (CID 102900020) is 2-[cyclopropyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol.
What is the SMILES notation for 2-[cyclopropyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol?
The canonical SMILES for 2-[cyclopropyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol is OCCN(CC1CCC2(CCCC2)O1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol?
The InChIKey is ZJLALELWXRHMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c16-10-9-15(12-3-4-12)11-13-5-8-14(17-13)6-1-2-7-14/h12-13,16H,1-11H2.
What are the key properties of 2-[cyclopropyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol?
2-[cyclopropyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol has a molecular weight of 239.36 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol is sourced from PubChem (CID 102900020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).