2-(5-oxaspiro[3.4]octan-6-yl)ethanamine

C9H17NO — CID 130585754

IUPAC2-(5-oxaspiro[3.4]octan-6-yl)ethanamine
SMILESNCCC1CCC2(CCC2)O1
InChIInChI=1S/C9H17NO/c10-7-3-8-2-6-9(11-8)4-1-5-9/h8H,1-7,10H2
InChIKeyWXJJPWGLEPNVCT-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.44
Rot. Bonds2

About 2-(5-oxaspiro[3.4]octan-6-yl)ethanamine

2-(5-oxaspiro[3.4]octan-6-yl)ethanamine (PubChem CID 130585754) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-(5-oxaspiro[3.4]octan-6-yl)ethanamine.

Molecular Properties

Compound Name2-(5-oxaspiro[3.4]octan-6-yl)ethanamine
PubChem CID130585754
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2-(5-oxaspiro[3.4]octan-6-yl)ethanamine
SMILESNCCC1CCC2(CCC2)O1
InChIInChI=1S/C9H17NO/c10-7-3-8-2-6-9(11-8)4-1-5-9/h8H,1-7,10H2
InChIKeyWXJJPWGLEPNVCT-UHFFFAOYSA-N
XLogP1.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-oxaspiro[3.4]octan-6-yl)ethanamine?
The IUPAC name of 2-(5-oxaspiro[3.4]octan-6-yl)ethanamine (CID 130585754) is 2-(5-oxaspiro[3.4]octan-6-yl)ethanamine.
What is the SMILES notation for 2-(5-oxaspiro[3.4]octan-6-yl)ethanamine?
The canonical SMILES for 2-(5-oxaspiro[3.4]octan-6-yl)ethanamine is NCCC1CCC2(CCC2)O1.
What is the InChIKey of 2-(5-oxaspiro[3.4]octan-6-yl)ethanamine?
The InChIKey is WXJJPWGLEPNVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c10-7-3-8-2-6-9(11-8)4-1-5-9/h8H,1-7,10H2.
What are the key properties of 2-(5-oxaspiro[3.4]octan-6-yl)ethanamine?
2-(5-oxaspiro[3.4]octan-6-yl)ethanamine has a molecular weight of 155.24 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-oxaspiro[3.4]octan-6-yl)ethanamine is sourced from PubChem (CID 130585754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).