2-(2-oxa-5-azaspiro[3.4]octan-5-yl)ethanamine

C8H16N2O — CID 164547645

IUPAC2-(2-oxa-5-azaspiro[3.4]octan-5-yl)ethanamine
SMILESNCCN1CCCC12COC2
InChIInChI=1S/C8H16N2O/c9-3-5-10-4-1-2-8(10)6-11-7-8/h1-7,9H2
InChIKeyIQSLWPVTBXEBES-UHFFFAOYSA-N
MW156.23 g/mol
LogP-0.19
Rot. Bonds2

About 2-(2-oxa-5-azaspiro[3.4]octan-5-yl)ethanamine

2-(2-oxa-5-azaspiro[3.4]octan-5-yl)ethanamine (PubChem CID 164547645) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 2-(2-oxa-5-azaspiro[3.4]octan-5-yl)ethanamine.

Molecular Properties

Compound Name2-(2-oxa-5-azaspiro[3.4]octan-5-yl)ethanamine
PubChem CID164547645
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name2-(2-oxa-5-azaspiro[3.4]octan-5-yl)ethanamine
SMILESNCCN1CCCC12COC2
InChIInChI=1S/C8H16N2O/c9-3-5-10-4-1-2-8(10)6-11-7-8/h1-7,9H2
InChIKeyIQSLWPVTBXEBES-UHFFFAOYSA-N
XLogP-0.19
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxa-5-azaspiro[3.4]octan-5-yl)ethanamine?
The IUPAC name of 2-(2-oxa-5-azaspiro[3.4]octan-5-yl)ethanamine (CID 164547645) is 2-(2-oxa-5-azaspiro[3.4]octan-5-yl)ethanamine.
What is the SMILES notation for 2-(2-oxa-5-azaspiro[3.4]octan-5-yl)ethanamine?
The canonical SMILES for 2-(2-oxa-5-azaspiro[3.4]octan-5-yl)ethanamine is NCCN1CCCC12COC2.
What is the InChIKey of 2-(2-oxa-5-azaspiro[3.4]octan-5-yl)ethanamine?
The InChIKey is IQSLWPVTBXEBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c9-3-5-10-4-1-2-8(10)6-11-7-8/h1-7,9H2.
What are the key properties of 2-(2-oxa-5-azaspiro[3.4]octan-5-yl)ethanamine?
2-(2-oxa-5-azaspiro[3.4]octan-5-yl)ethanamine has a molecular weight of 156.23 g/mol, XLogP of -0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxa-5-azaspiro[3.4]octan-5-yl)ethanamine is sourced from PubChem (CID 164547645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).