6-(2-azidoethyl)-8-(methoxymethyl)-6-azaspiro[3.4]octane

C11H20N4O — CID 121204413

IUPAC6-(2-azidoethyl)-8-(methoxymethyl)-6-azaspiro[3.4]octane
SMILESCOCC1CN(CCN=[N+]=[N-])CC12CCC2
InChIInChI=1S/C11H20N4O/c1-16-8-10-7-15(6-5-13-14-12)9-11(10)3-2-4-11/h10H,2-9H2,1H3
InChIKeyPNSGMJBCQMLFQV-UHFFFAOYSA-N
MW224.31 g/mol
LogP2.05
Rot. Bonds5

About 6-(2-azidoethyl)-8-(methoxymethyl)-6-azaspiro[3.4]octane

6-(2-azidoethyl)-8-(methoxymethyl)-6-azaspiro[3.4]octane (PubChem CID 121204413) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 6-(2-azidoethyl)-8-(methoxymethyl)-6-azaspiro[3.4]octane.

Molecular Properties

Compound Name6-(2-azidoethyl)-8-(methoxymethyl)-6-azaspiro[3.4]octane
PubChem CID121204413
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name6-(2-azidoethyl)-8-(methoxymethyl)-6-azaspiro[3.4]octane
SMILESCOCC1CN(CCN=[N+]=[N-])CC12CCC2
InChIInChI=1S/C11H20N4O/c1-16-8-10-7-15(6-5-13-14-12)9-11(10)3-2-4-11/h10H,2-9H2,1H3
InChIKeyPNSGMJBCQMLFQV-UHFFFAOYSA-N
XLogP2.05
TPSA61.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-azidoethyl)-8-(methoxymethyl)-6-azaspiro[3.4]octane?
The IUPAC name of 6-(2-azidoethyl)-8-(methoxymethyl)-6-azaspiro[3.4]octane (CID 121204413) is 6-(2-azidoethyl)-8-(methoxymethyl)-6-azaspiro[3.4]octane.
What is the SMILES notation for 6-(2-azidoethyl)-8-(methoxymethyl)-6-azaspiro[3.4]octane?
The canonical SMILES for 6-(2-azidoethyl)-8-(methoxymethyl)-6-azaspiro[3.4]octane is COCC1CN(CCN=[N+]=[N-])CC12CCC2.
What is the InChIKey of 6-(2-azidoethyl)-8-(methoxymethyl)-6-azaspiro[3.4]octane?
The InChIKey is PNSGMJBCQMLFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-16-8-10-7-15(6-5-13-14-12)9-11(10)3-2-4-11/h10H,2-9H2,1H3.
What are the key properties of 6-(2-azidoethyl)-8-(methoxymethyl)-6-azaspiro[3.4]octane?
6-(2-azidoethyl)-8-(methoxymethyl)-6-azaspiro[3.4]octane has a molecular weight of 224.31 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-azidoethyl)-8-(methoxymethyl)-6-azaspiro[3.4]octane is sourced from PubChem (CID 121204413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).