3,3,10,10-tetramethyl-3,10-diazoniabicyclo[10.2.2]hexadeca-1(14),12,15-triene

C18H32N2+2 — CID 101474040

IUPAC3,3,10,10-tetramethyl-3,10-diazoniabicyclo[10.2.2]hexadeca-1(14),12,15-triene
SMILESC[N+]1(C)CCCCCC[N+](C)(C)Cc2ccc(cc2)C1
InChIInChI=1S/C18H32N2/c1-19(2)13-7-5-6-8-14-20(3,4)16-18-11-9-17(15-19)10-12-18/h9-12H,5-8,13-16H2,1-4H3/q+2
InChIKeyBQNHAKYLSLXJRA-UHFFFAOYSA-N
MW276.47 g/mol
LogP3.41
Rot. Bonds

About 3,3,10,10-tetramethyl-3,10-diazoniabicyclo[10.2.2]hexadeca-1(14),12,15-triene

3,3,10,10-tetramethyl-3,10-diazoniabicyclo[10.2.2]hexadeca-1(14),12,15-triene (PubChem CID 101474040) has the molecular formula C18H32N2+2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 3,3,10,10-tetramethyl-3,10-diazoniabicyclo[10.2.2]hexadeca-1(14),12,15-triene.

Molecular Properties

Compound Name3,3,10,10-tetramethyl-3,10-diazoniabicyclo[10.2.2]hexadeca-1(14),12,15-triene
PubChem CID101474040
Molecular FormulaC18H32N2+2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name3,3,10,10-tetramethyl-3,10-diazoniabicyclo[10.2.2]hexadeca-1(14),12,15-triene
SMILESC[N+]1(C)CCCCCC[N+](C)(C)Cc2ccc(cc2)C1
InChIInChI=1S/C18H32N2/c1-19(2)13-7-5-6-8-14-20(3,4)16-18-11-9-17(15-19)10-12-18/h9-12H,5-8,13-16H2,1-4H3/q+2
InChIKeyBQNHAKYLSLXJRA-UHFFFAOYSA-N
XLogP3.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 53.41
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 3,3,10,10-tetramethyl-3,10-diazoniabicyclo[10.2.2]hexadeca-1(14),12,15-triene?
The IUPAC name of 3,3,10,10-tetramethyl-3,10-diazoniabicyclo[10.2.2]hexadeca-1(14),12,15-triene (CID 101474040) is 3,3,10,10-tetramethyl-3,10-diazoniabicyclo[10.2.2]hexadeca-1(14),12,15-triene.
What is the SMILES notation for 3,3,10,10-tetramethyl-3,10-diazoniabicyclo[10.2.2]hexadeca-1(14),12,15-triene?
The canonical SMILES for 3,3,10,10-tetramethyl-3,10-diazoniabicyclo[10.2.2]hexadeca-1(14),12,15-triene is C[N+]1(C)CCCCCC[N+](C)(C)Cc2ccc(cc2)C1.
What is the InChIKey of 3,3,10,10-tetramethyl-3,10-diazoniabicyclo[10.2.2]hexadeca-1(14),12,15-triene?
The InChIKey is BQNHAKYLSLXJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-19(2)13-7-5-6-8-14-20(3,4)16-18-11-9-17(15-19)10-12-18/h9-12H,5-8,13-16H2,1-4H3/q+2.
What are the key properties of 3,3,10,10-tetramethyl-3,10-diazoniabicyclo[10.2.2]hexadeca-1(14),12,15-triene?
3,3,10,10-tetramethyl-3,10-diazoniabicyclo[10.2.2]hexadeca-1(14),12,15-triene has a molecular weight of 276.47 g/mol, XLogP of 3.41, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,10,10-tetramethyl-3,10-diazoniabicyclo[10.2.2]hexadeca-1(14),12,15-triene is sourced from PubChem (CID 101474040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).