8-(3-azidopropyl)-8-azaspiro[4.5]decane

C12H22N4 — CID 55219015

IUPAC8-(3-azidopropyl)-8-azaspiro[4.5]decane
SMILES[N-]=[N+]=NCCCN1CCC2(CCCC2)CC1
InChIInChI=1S/C12H22N4/c13-15-14-8-3-9-16-10-6-12(7-11-16)4-1-2-5-12/h1-11H2
InChIKeyCUGLXENOXRKVRZ-UHFFFAOYSA-N
MW222.34 g/mol
LogP3.34
Rot. Bonds4

About 8-(3-azidopropyl)-8-azaspiro[4.5]decane

8-(3-azidopropyl)-8-azaspiro[4.5]decane (PubChem CID 55219015) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 8-(3-azidopropyl)-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(3-azidopropyl)-8-azaspiro[4.5]decane
PubChem CID55219015
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name8-(3-azidopropyl)-8-azaspiro[4.5]decane
SMILES[N-]=[N+]=NCCCN1CCC2(CCCC2)CC1
InChIInChI=1S/C12H22N4/c13-15-14-8-3-9-16-10-6-12(7-11-16)4-1-2-5-12/h1-11H2
InChIKeyCUGLXENOXRKVRZ-UHFFFAOYSA-N
XLogP3.34
TPSA52.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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 8-(3-azidopropyl)-8-azaspiro[4.5]decane?
The IUPAC name of 8-(3-azidopropyl)-8-azaspiro[4.5]decane (CID 55219015) is 8-(3-azidopropyl)-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(3-azidopropyl)-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(3-azidopropyl)-8-azaspiro[4.5]decane is [N-]=[N+]=NCCCN1CCC2(CCCC2)CC1.
What is the InChIKey of 8-(3-azidopropyl)-8-azaspiro[4.5]decane?
The InChIKey is CUGLXENOXRKVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c13-15-14-8-3-9-16-10-6-12(7-11-16)4-1-2-5-12/h1-11H2.
What are the key properties of 8-(3-azidopropyl)-8-azaspiro[4.5]decane?
8-(3-azidopropyl)-8-azaspiro[4.5]decane has a molecular weight of 222.34 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-azidopropyl)-8-azaspiro[4.5]decane is sourced from PubChem (CID 55219015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).