14,15,15-trimethyl-13-azoniatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,13-hexaene

C18H20N+ — CID 58165782

IUPAC14,15,15-trimethyl-13-azoniatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,13-hexaene
SMILESCC1=[N+]2CCCc3cc4ccccc4c(c32)C1(C)C
InChIInChI=1S/C18H20N/c1-12-18(2,3)16-15-9-5-4-7-13(15)11-14-8-6-10-19(12)17(14)16/h4-5,7,9,11H,6,8,10H2,1-3H3/q+1
InChIKeyUBRAOAYXDQGQEP-UHFFFAOYSA-N
MW250.37 g/mol
LogP4.18
Rot. Bonds

About 14,15,15-trimethyl-13-azoniatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,13-hexaene

14,15,15-trimethyl-13-azoniatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,13-hexaene (PubChem CID 58165782) has the molecular formula C18H20N+ and a molecular weight of 250.37 g/mol. Its IUPAC name is 14,15,15-trimethyl-13-azoniatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,13-hexaene.

Molecular Properties

Compound Name14,15,15-trimethyl-13-azoniatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,13-hexaene
PubChem CID58165782
Molecular FormulaC18H20N+
Molecular Weight250.37 g/mol
Exact Mass250.16
IUPAC Name14,15,15-trimethyl-13-azoniatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,13-hexaene
SMILESCC1=[N+]2CCCc3cc4ccccc4c(c32)C1(C)C
InChIInChI=1S/C18H20N/c1-12-18(2,3)16-15-9-5-4-7-13(15)11-14-8-6-10-19(12)17(14)16/h4-5,7,9,11H,6,8,10H2,1-3H3/q+1
InChIKeyUBRAOAYXDQGQEP-UHFFFAOYSA-N
XLogP4.18
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 14,15,15-trimethyl-13-azoniatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,13-hexaene?
The IUPAC name of 14,15,15-trimethyl-13-azoniatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,13-hexaene (CID 58165782) is 14,15,15-trimethyl-13-azoniatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,13-hexaene.
What is the SMILES notation for 14,15,15-trimethyl-13-azoniatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,13-hexaene?
The canonical SMILES for 14,15,15-trimethyl-13-azoniatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,13-hexaene is CC1=[N+]2CCCc3cc4ccccc4c(c32)C1(C)C.
What is the InChIKey of 14,15,15-trimethyl-13-azoniatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,13-hexaene?
The InChIKey is UBRAOAYXDQGQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N/c1-12-18(2,3)16-15-9-5-4-7-13(15)11-14-8-6-10-19(12)17(14)16/h4-5,7,9,11H,6,8,10H2,1-3H3/q+1.
What are the key properties of 14,15,15-trimethyl-13-azoniatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,13-hexaene?
14,15,15-trimethyl-13-azoniatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,13-hexaene has a molecular weight of 250.37 g/mol, XLogP of 4.18, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 14,15,15-trimethyl-13-azoniatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,13-hexaene is sourced from PubChem (CID 58165782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).