ethane;6-oxa-2-azaspiro[3.4]octan-2-amine

C8H18N2O — CID 144688973

IUPACethane;6-oxa-2-azaspiro[3.4]octan-2-amine
SMILESCC.NN1CC2(CCOC2)C1
InChIInChI=1S/C6H12N2O.C2H6/c7-8-3-6(4-8)1-2-9-5-6;1-2/h1-5,7H2;1-2H3
InChIKeyUVORPOIAAABJSZ-UHFFFAOYSA-N
MW158.24 g/mol
LogP0.61
Rot. Bonds

About ethane;6-oxa-2-azaspiro[3.4]octan-2-amine

ethane;6-oxa-2-azaspiro[3.4]octan-2-amine (PubChem CID 144688973) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is ethane;6-oxa-2-azaspiro[3.4]octan-2-amine.

Molecular Properties

Compound Nameethane;6-oxa-2-azaspiro[3.4]octan-2-amine
PubChem CID144688973
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Nameethane;6-oxa-2-azaspiro[3.4]octan-2-amine
SMILESCC.NN1CC2(CCOC2)C1
InChIInChI=1S/C6H12N2O.C2H6/c7-8-3-6(4-8)1-2-9-5-6;1-2/h1-5,7H2;1-2H3
InChIKeyUVORPOIAAABJSZ-UHFFFAOYSA-N
XLogP0.61
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;6-oxa-2-azaspiro[3.4]octan-2-amine?
The IUPAC name of ethane;6-oxa-2-azaspiro[3.4]octan-2-amine (CID 144688973) is ethane;6-oxa-2-azaspiro[3.4]octan-2-amine.
What is the SMILES notation for ethane;6-oxa-2-azaspiro[3.4]octan-2-amine?
The canonical SMILES for ethane;6-oxa-2-azaspiro[3.4]octan-2-amine is CC.NN1CC2(CCOC2)C1.
What is the InChIKey of ethane;6-oxa-2-azaspiro[3.4]octan-2-amine?
The InChIKey is UVORPOIAAABJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O.C2H6/c7-8-3-6(4-8)1-2-9-5-6;1-2/h1-5,7H2;1-2H3.
What are the key properties of ethane;6-oxa-2-azaspiro[3.4]octan-2-amine?
ethane;6-oxa-2-azaspiro[3.4]octan-2-amine has a molecular weight of 158.24 g/mol, XLogP of 0.61, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-oxa-2-azaspiro[3.4]octan-2-amine is sourced from PubChem (CID 144688973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).