12,21-dimethyl-12,21-diazatetracyclo[12.7.0.04,9.015,20]henicosa-1(14),4,6,8,15,17,19-heptaene

C21H24N2 — CID 122365826

IUPAC12,21-dimethyl-12,21-diazatetracyclo[12.7.0.04,9.015,20]henicosa-1(14),4,6,8,15,17,19-heptaene
SMILESCN1CCc2ccccc2CCc2c(c3ccccc3n2C)C1
InChIInChI=1S/C21H24N2/c1-22-14-13-17-8-4-3-7-16(17)11-12-21-19(15-22)18-9-5-6-10-20(18)23(21)2/h3-10H,11-15H2,1-2H3
InChIKeyYSGOGKOBQKUXSC-UHFFFAOYSA-N
MW304.44 g/mol
LogP3.95
Rot. Bonds

About 12,21-dimethyl-12,21-diazatetracyclo[12.7.0.04,9.015,20]henicosa-1(14),4,6,8,15,17,19-heptaene

12,21-dimethyl-12,21-diazatetracyclo[12.7.0.04,9.015,20]henicosa-1(14),4,6,8,15,17,19-heptaene (PubChem CID 122365826) has the molecular formula C21H24N2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 12,21-dimethyl-12,21-diazatetracyclo[12.7.0.04,9.015,20]henicosa-1(14),4,6,8,15,17,19-heptaene.

Molecular Properties

Compound Name12,21-dimethyl-12,21-diazatetracyclo[12.7.0.04,9.015,20]henicosa-1(14),4,6,8,15,17,19-heptaene
PubChem CID122365826
Molecular FormulaC21H24N2
Molecular Weight304.44 g/mol
Exact Mass304.19
IUPAC Name12,21-dimethyl-12,21-diazatetracyclo[12.7.0.04,9.015,20]henicosa-1(14),4,6,8,15,17,19-heptaene
SMILESCN1CCc2ccccc2CCc2c(c3ccccc3n2C)C1
InChIInChI=1S/C21H24N2/c1-22-14-13-17-8-4-3-7-16(17)11-12-21-19(15-22)18-9-5-6-10-20(18)23(21)2/h3-10H,11-15H2,1-2H3
InChIKeyYSGOGKOBQKUXSC-UHFFFAOYSA-N
XLogP3.95
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 12,21-dimethyl-12,21-diazatetracyclo[12.7.0.04,9.015,20]henicosa-1(14),4,6,8,15,17,19-heptaene?
The IUPAC name of 12,21-dimethyl-12,21-diazatetracyclo[12.7.0.04,9.015,20]henicosa-1(14),4,6,8,15,17,19-heptaene (CID 122365826) is 12,21-dimethyl-12,21-diazatetracyclo[12.7.0.04,9.015,20]henicosa-1(14),4,6,8,15,17,19-heptaene.
What is the SMILES notation for 12,21-dimethyl-12,21-diazatetracyclo[12.7.0.04,9.015,20]henicosa-1(14),4,6,8,15,17,19-heptaene?
The canonical SMILES for 12,21-dimethyl-12,21-diazatetracyclo[12.7.0.04,9.015,20]henicosa-1(14),4,6,8,15,17,19-heptaene is CN1CCc2ccccc2CCc2c(c3ccccc3n2C)C1.
What is the InChIKey of 12,21-dimethyl-12,21-diazatetracyclo[12.7.0.04,9.015,20]henicosa-1(14),4,6,8,15,17,19-heptaene?
The InChIKey is YSGOGKOBQKUXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2/c1-22-14-13-17-8-4-3-7-16(17)11-12-21-19(15-22)18-9-5-6-10-20(18)23(21)2/h3-10H,11-15H2,1-2H3.
What are the key properties of 12,21-dimethyl-12,21-diazatetracyclo[12.7.0.04,9.015,20]henicosa-1(14),4,6,8,15,17,19-heptaene?
12,21-dimethyl-12,21-diazatetracyclo[12.7.0.04,9.015,20]henicosa-1(14),4,6,8,15,17,19-heptaene has a molecular weight of 304.44 g/mol, XLogP of 3.95, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12,21-dimethyl-12,21-diazatetracyclo[12.7.0.04,9.015,20]henicosa-1(14),4,6,8,15,17,19-heptaene is sourced from PubChem (CID 122365826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).