5,5,12,12-tetramethyl-5,12-diazoniapentacyclo[7.5.2.02,8.03,7.010,14]hexadec-15-ene

C18H30N2+2 — CID 102222158

IUPAC5,5,12,12-tetramethyl-5,12-diazoniapentacyclo[7.5.2.02,8.03,7.010,14]hexadec-15-ene
SMILESC[N+]1(C)CC2C3C=CC(C2C1)C1C2C[N+](C)(C)CC2C31
InChIInChI=1S/C18H30N2/c1-19(2)7-13-11-5-6-12(14(13)8-19)18-16-10-20(3,4)9-15(16)17(11)18/h5-6,11-18H,7-10H2,1-4H3/q+2
InChIKeyHKIFRTAWHLMSTR-UHFFFAOYSA-N
MW274.45 g/mol
LogP1.69
Rot. Bonds

About 5,5,12,12-tetramethyl-5,12-diazoniapentacyclo[7.5.2.02,8.03,7.010,14]hexadec-15-ene

5,5,12,12-tetramethyl-5,12-diazoniapentacyclo[7.5.2.02,8.03,7.010,14]hexadec-15-ene (PubChem CID 102222158) has the molecular formula C18H30N2+2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 5,5,12,12-tetramethyl-5,12-diazoniapentacyclo[7.5.2.02,8.03,7.010,14]hexadec-15-ene.

Molecular Properties

Compound Name5,5,12,12-tetramethyl-5,12-diazoniapentacyclo[7.5.2.02,8.03,7.010,14]hexadec-15-ene
PubChem CID102222158
Molecular FormulaC18H30N2+2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name5,5,12,12-tetramethyl-5,12-diazoniapentacyclo[7.5.2.02,8.03,7.010,14]hexadec-15-ene
SMILESC[N+]1(C)CC2C3C=CC(C2C1)C1C2C[N+](C)(C)CC2C31
InChIInChI=1S/C18H30N2/c1-19(2)7-13-11-5-6-12(14(13)8-19)18-16-10-20(3,4)9-15(16)17(11)18/h5-6,11-18H,7-10H2,1-4H3/q+2
InChIKeyHKIFRTAWHLMSTR-UHFFFAOYSA-N
XLogP1.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5,12,12-tetramethyl-5,12-diazoniapentacyclo[7.5.2.02,8.03,7.010,14]hexadec-15-ene?
The IUPAC name of 5,5,12,12-tetramethyl-5,12-diazoniapentacyclo[7.5.2.02,8.03,7.010,14]hexadec-15-ene (CID 102222158) is 5,5,12,12-tetramethyl-5,12-diazoniapentacyclo[7.5.2.02,8.03,7.010,14]hexadec-15-ene.
What is the SMILES notation for 5,5,12,12-tetramethyl-5,12-diazoniapentacyclo[7.5.2.02,8.03,7.010,14]hexadec-15-ene?
The canonical SMILES for 5,5,12,12-tetramethyl-5,12-diazoniapentacyclo[7.5.2.02,8.03,7.010,14]hexadec-15-ene is C[N+]1(C)CC2C3C=CC(C2C1)C1C2C[N+](C)(C)CC2C31.
What is the InChIKey of 5,5,12,12-tetramethyl-5,12-diazoniapentacyclo[7.5.2.02,8.03,7.010,14]hexadec-15-ene?
The InChIKey is HKIFRTAWHLMSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-19(2)7-13-11-5-6-12(14(13)8-19)18-16-10-20(3,4)9-15(16)17(11)18/h5-6,11-18H,7-10H2,1-4H3/q+2.
What are the key properties of 5,5,12,12-tetramethyl-5,12-diazoniapentacyclo[7.5.2.02,8.03,7.010,14]hexadec-15-ene?
5,5,12,12-tetramethyl-5,12-diazoniapentacyclo[7.5.2.02,8.03,7.010,14]hexadec-15-ene has a molecular weight of 274.45 g/mol, XLogP of 1.69, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,12,12-tetramethyl-5,12-diazoniapentacyclo[7.5.2.02,8.03,7.010,14]hexadec-15-ene is sourced from PubChem (CID 102222158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).