2-(1-oxaspiro[4.4]nonan-2-ylmethyl)-7-oxabicyclo[2.2.1]heptan-2-amine

C15H25NO2 — CID 102901926

IUPAC2-(1-oxaspiro[4.4]nonan-2-ylmethyl)-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESNC1(CC2CCC3(CCCC3)O2)CC2CCC1O2
InChIInChI=1S/C15H25NO2/c16-15(9-11-3-4-13(15)17-11)10-12-5-8-14(18-12)6-1-2-7-14/h11-13H,1-10,16H2
InChIKeyRWEASTSIUNEIIU-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.52
Rot. Bonds2

About 2-(1-oxaspiro[4.4]nonan-2-ylmethyl)-7-oxabicyclo[2.2.1]heptan-2-amine

2-(1-oxaspiro[4.4]nonan-2-ylmethyl)-7-oxabicyclo[2.2.1]heptan-2-amine (PubChem CID 102901926) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-(1-oxaspiro[4.4]nonan-2-ylmethyl)-7-oxabicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name2-(1-oxaspiro[4.4]nonan-2-ylmethyl)-7-oxabicyclo[2.2.1]heptan-2-amine
PubChem CID102901926
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-(1-oxaspiro[4.4]nonan-2-ylmethyl)-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESNC1(CC2CCC3(CCCC3)O2)CC2CCC1O2
InChIInChI=1S/C15H25NO2/c16-15(9-11-3-4-13(15)17-11)10-12-5-8-14(18-12)6-1-2-7-14/h11-13H,1-10,16H2
InChIKeyRWEASTSIUNEIIU-UHFFFAOYSA-N
XLogP2.52
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.52
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)-7-oxabicyclo[2.2.1]heptan-2-amine?
The IUPAC name of 2-(1-oxaspiro[4.4]nonan-2-ylmethyl)-7-oxabicyclo[2.2.1]heptan-2-amine (CID 102901926) is 2-(1-oxaspiro[4.4]nonan-2-ylmethyl)-7-oxabicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for 2-(1-oxaspiro[4.4]nonan-2-ylmethyl)-7-oxabicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for 2-(1-oxaspiro[4.4]nonan-2-ylmethyl)-7-oxabicyclo[2.2.1]heptan-2-amine is NC1(CC2CCC3(CCCC3)O2)CC2CCC1O2.
What is the InChIKey of 2-(1-oxaspiro[4.4]nonan-2-ylmethyl)-7-oxabicyclo[2.2.1]heptan-2-amine?
The InChIKey is RWEASTSIUNEIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c16-15(9-11-3-4-13(15)17-11)10-12-5-8-14(18-12)6-1-2-7-14/h11-13H,1-10,16H2.
What are the key properties of 2-(1-oxaspiro[4.4]nonan-2-ylmethyl)-7-oxabicyclo[2.2.1]heptan-2-amine?
2-(1-oxaspiro[4.4]nonan-2-ylmethyl)-7-oxabicyclo[2.2.1]heptan-2-amine has a molecular weight of 251.37 g/mol, XLogP of 2.52, 2 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)-7-oxabicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 102901926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).