2-(8-oxa-5-azaspiro[3.5]nonan-5-yl)ethanamine

C9H18N2O — CID 130712122

IUPAC2-(8-oxa-5-azaspiro[3.5]nonan-5-yl)ethanamine
SMILESNCCN1CCOCC12CCC2
InChIInChI=1S/C9H18N2O/c10-4-5-11-6-7-12-8-9(11)2-1-3-9/h1-8,10H2
InChIKeyLLHSNJKRMWZJFB-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.20
Rot. Bonds2

About 2-(8-oxa-5-azaspiro[3.5]nonan-5-yl)ethanamine

2-(8-oxa-5-azaspiro[3.5]nonan-5-yl)ethanamine (PubChem CID 130712122) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 2-(8-oxa-5-azaspiro[3.5]nonan-5-yl)ethanamine.

Molecular Properties

Compound Name2-(8-oxa-5-azaspiro[3.5]nonan-5-yl)ethanamine
PubChem CID130712122
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name2-(8-oxa-5-azaspiro[3.5]nonan-5-yl)ethanamine
SMILESNCCN1CCOCC12CCC2
InChIInChI=1S/C9H18N2O/c10-4-5-11-6-7-12-8-9(11)2-1-3-9/h1-8,10H2
InChIKeyLLHSNJKRMWZJFB-UHFFFAOYSA-N
XLogP0.20
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(8-oxa-5-azaspiro[3.5]nonan-5-yl)ethanamine?
The IUPAC name of 2-(8-oxa-5-azaspiro[3.5]nonan-5-yl)ethanamine (CID 130712122) is 2-(8-oxa-5-azaspiro[3.5]nonan-5-yl)ethanamine.
What is the SMILES notation for 2-(8-oxa-5-azaspiro[3.5]nonan-5-yl)ethanamine?
The canonical SMILES for 2-(8-oxa-5-azaspiro[3.5]nonan-5-yl)ethanamine is NCCN1CCOCC12CCC2.
What is the InChIKey of 2-(8-oxa-5-azaspiro[3.5]nonan-5-yl)ethanamine?
The InChIKey is LLHSNJKRMWZJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c10-4-5-11-6-7-12-8-9(11)2-1-3-9/h1-8,10H2.
What are the key properties of 2-(8-oxa-5-azaspiro[3.5]nonan-5-yl)ethanamine?
2-(8-oxa-5-azaspiro[3.5]nonan-5-yl)ethanamine has a molecular weight of 170.26 g/mol, XLogP of 0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-oxa-5-azaspiro[3.5]nonan-5-yl)ethanamine is sourced from PubChem (CID 130712122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).