2,3-diethyl-2,3,10-trimethyl-7,13-diaza-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4(16),5,7,9,11,13-heptaene

C20H24N3+ — CID 123873505

IUPAC2,3-diethyl-2,3,10-trimethyl-7,13-diaza-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4(16),5,7,9,11,13-heptaene
SMILESCCC1(C)c2ccnc3cc(C)c4cnc[n+](c4c23)C1(C)CC
InChIInChI=1S/C20H24N3/c1-6-19(4)15-8-9-22-16-10-13(3)14-11-21-12-23(18(14)17(15)16)20(19,5)7-2/h8-12H,6-7H2,1-5H3/q+1
InChIKeyFSSIRISRRQEOKF-UHFFFAOYSA-N
MW306.43 g/mol
LogP4.19
Rot. Bonds2

About 2,3-diethyl-2,3,10-trimethyl-7,13-diaza-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4(16),5,7,9,11,13-heptaene

2,3-diethyl-2,3,10-trimethyl-7,13-diaza-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4(16),5,7,9,11,13-heptaene (PubChem CID 123873505) has the molecular formula C20H24N3+ and a molecular weight of 306.43 g/mol. Its IUPAC name is 2,3-diethyl-2,3,10-trimethyl-7,13-diaza-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4(16),5,7,9,11,13-heptaene.

Molecular Properties

Compound Name2,3-diethyl-2,3,10-trimethyl-7,13-diaza-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4(16),5,7,9,11,13-heptaene
PubChem CID123873505
Molecular FormulaC20H24N3+
Molecular Weight306.43 g/mol
Exact Mass306.20
IUPAC Name2,3-diethyl-2,3,10-trimethyl-7,13-diaza-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4(16),5,7,9,11,13-heptaene
SMILESCCC1(C)c2ccnc3cc(C)c4cnc[n+](c4c23)C1(C)CC
InChIInChI=1S/C20H24N3/c1-6-19(4)15-8-9-22-16-10-13(3)14-11-21-12-23(18(14)17(15)16)20(19,5)7-2/h8-12H,6-7H2,1-5H3/q+1
InChIKeyFSSIRISRRQEOKF-UHFFFAOYSA-N
XLogP4.19
TPSA29.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2,3-diethyl-2,3,10-trimethyl-7,13-diaza-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4(16),5,7,9,11,13-heptaene with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2,3-diethyl-2,3,10-trimethyl-7,13-diaza-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4(16),5,7,9,11,13-heptaene?
The IUPAC name of 2,3-diethyl-2,3,10-trimethyl-7,13-diaza-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4(16),5,7,9,11,13-heptaene (CID 123873505) is 2,3-diethyl-2,3,10-trimethyl-7,13-diaza-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4(16),5,7,9,11,13-heptaene.
What is the SMILES notation for 2,3-diethyl-2,3,10-trimethyl-7,13-diaza-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4(16),5,7,9,11,13-heptaene?
The canonical SMILES for 2,3-diethyl-2,3,10-trimethyl-7,13-diaza-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4(16),5,7,9,11,13-heptaene is CCC1(C)c2ccnc3cc(C)c4cnc[n+](c4c23)C1(C)CC.
What is the InChIKey of 2,3-diethyl-2,3,10-trimethyl-7,13-diaza-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4(16),5,7,9,11,13-heptaene?
The InChIKey is FSSIRISRRQEOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N3/c1-6-19(4)15-8-9-22-16-10-13(3)14-11-21-12-23(18(14)17(15)16)20(19,5)7-2/h8-12H,6-7H2,1-5H3/q+1.
What are the key properties of 2,3-diethyl-2,3,10-trimethyl-7,13-diaza-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4(16),5,7,9,11,13-heptaene?
2,3-diethyl-2,3,10-trimethyl-7,13-diaza-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4(16),5,7,9,11,13-heptaene has a molecular weight of 306.43 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethyl-2,3,10-trimethyl-7,13-diaza-1-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4(16),5,7,9,11,13-heptaene is sourced from PubChem (CID 123873505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).