2-[1-oxaspiro[4.4]nonan-2-ylmethyl(pentan-3-yl)amino]ethanol

C16H31NO2 — CID 102900031

IUPAC2-[1-oxaspiro[4.4]nonan-2-ylmethyl(pentan-3-yl)amino]ethanol
SMILESCCC(CC)N(CCO)CC1CCC2(CCCC2)O1
InChIInChI=1S/C16H31NO2/c1-3-14(4-2)17(11-12-18)13-15-7-10-16(19-15)8-5-6-9-16/h14-15,18H,3-13H2,1-2H3
InChIKeyZJIFUWJFIZFWMX-UHFFFAOYSA-N
MW269.43 g/mol
LogP2.96
Rot. Bonds7

About 2-[1-oxaspiro[4.4]nonan-2-ylmethyl(pentan-3-yl)amino]ethanol

2-[1-oxaspiro[4.4]nonan-2-ylmethyl(pentan-3-yl)amino]ethanol (PubChem CID 102900031) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-[1-oxaspiro[4.4]nonan-2-ylmethyl(pentan-3-yl)amino]ethanol.

Molecular Properties

Compound Name2-[1-oxaspiro[4.4]nonan-2-ylmethyl(pentan-3-yl)amino]ethanol
PubChem CID102900031
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name2-[1-oxaspiro[4.4]nonan-2-ylmethyl(pentan-3-yl)amino]ethanol
SMILESCCC(CC)N(CCO)CC1CCC2(CCCC2)O1
InChIInChI=1S/C16H31NO2/c1-3-14(4-2)17(11-12-18)13-15-7-10-16(19-15)8-5-6-9-16/h14-15,18H,3-13H2,1-2H3
InChIKeyZJIFUWJFIZFWMX-UHFFFAOYSA-N
XLogP2.96
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-oxaspiro[4.4]nonan-2-ylmethyl(pentan-3-yl)amino]ethanol?
The IUPAC name of 2-[1-oxaspiro[4.4]nonan-2-ylmethyl(pentan-3-yl)amino]ethanol (CID 102900031) is 2-[1-oxaspiro[4.4]nonan-2-ylmethyl(pentan-3-yl)amino]ethanol.
What is the SMILES notation for 2-[1-oxaspiro[4.4]nonan-2-ylmethyl(pentan-3-yl)amino]ethanol?
The canonical SMILES for 2-[1-oxaspiro[4.4]nonan-2-ylmethyl(pentan-3-yl)amino]ethanol is CCC(CC)N(CCO)CC1CCC2(CCCC2)O1.
What is the InChIKey of 2-[1-oxaspiro[4.4]nonan-2-ylmethyl(pentan-3-yl)amino]ethanol?
The InChIKey is ZJIFUWJFIZFWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-3-14(4-2)17(11-12-18)13-15-7-10-16(19-15)8-5-6-9-16/h14-15,18H,3-13H2,1-2H3.
What are the key properties of 2-[1-oxaspiro[4.4]nonan-2-ylmethyl(pentan-3-yl)amino]ethanol?
2-[1-oxaspiro[4.4]nonan-2-ylmethyl(pentan-3-yl)amino]ethanol has a molecular weight of 269.43 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-oxaspiro[4.4]nonan-2-ylmethyl(pentan-3-yl)amino]ethanol is sourced from PubChem (CID 102900031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).