6,9-diazoniadispiro[5.2.69.36]octadecane

C16H32N2+2 — CID 3056988

IUPAC6,9-diazoniadispiro[5.2.69.36]octadecane
SMILESC1CCC[N+]2(CC1)CCC[N+]1(CCCCC1)CC2
InChIInChI=1S/C16H32N2/c1-2-5-10-17(9-4-1)13-8-14-18(16-15-17)11-6-3-7-12-18/h1-16H2/q+2
InChIKeyNTFDVBFZIAXITQ-UHFFFAOYSA-N
MW252.45 g/mol
LogP2.78
Rot. Bonds

About 6,9-diazoniadispiro[5.2.69.36]octadecane

6,9-diazoniadispiro[5.2.69.36]octadecane (PubChem CID 3056988) has the molecular formula C16H32N2+2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 6,9-diazoniadispiro[5.2.69.36]octadecane.

Molecular Properties

Compound Name6,9-diazoniadispiro[5.2.69.36]octadecane
PubChem CID3056988
Molecular FormulaC16H32N2+2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name6,9-diazoniadispiro[5.2.69.36]octadecane
SMILESC1CCC[N+]2(CC1)CCC[N+]1(CCCCC1)CC2
InChIInChI=1S/C16H32N2/c1-2-5-10-17(9-4-1)13-8-14-18(16-15-17)11-6-3-7-12-18/h1-16H2/q+2
InChIKeyNTFDVBFZIAXITQ-UHFFFAOYSA-N
XLogP2.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,9-diazoniadispiro[5.2.69.36]octadecane?
The IUPAC name of 6,9-diazoniadispiro[5.2.69.36]octadecane (CID 3056988) is 6,9-diazoniadispiro[5.2.69.36]octadecane.
What is the SMILES notation for 6,9-diazoniadispiro[5.2.69.36]octadecane?
The canonical SMILES for 6,9-diazoniadispiro[5.2.69.36]octadecane is C1CCC[N+]2(CC1)CCC[N+]1(CCCCC1)CC2.
What is the InChIKey of 6,9-diazoniadispiro[5.2.69.36]octadecane?
The InChIKey is NTFDVBFZIAXITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-2-5-10-17(9-4-1)13-8-14-18(16-15-17)11-6-3-7-12-18/h1-16H2/q+2.
What are the key properties of 6,9-diazoniadispiro[5.2.69.36]octadecane?
6,9-diazoniadispiro[5.2.69.36]octadecane has a molecular weight of 252.45 g/mol, XLogP of 2.78, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,9-diazoniadispiro[5.2.69.36]octadecane is sourced from PubChem (CID 3056988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).