(1R)-5-[(1R)-10,10-dimethyl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-trien-5-yl]-10,10-dimethyl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-triene

C24H28N2 — CID 59350038

IUPAC(1R)-5-[(1R)-10,10-dimethyl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-trien-5-yl]-10,10-dimethyl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-triene
SMILESCC1(C)C2Cc3cc(-c4cc5c(cn4)[C@@H]4CC(C5)C4(C)C)ncc3[C@@H]1C2
InChIInChI=1S/C24H28N2/c1-23(2)15-5-13-7-21(25-11-17(13)19(23)9-15)22-8-14-6-16-10-20(24(16,3)4)18(14)12-26-22/h7-8,11-12,15-16,19-20H,5-6,9-10H2,1-4H3/t15?,16?,19-,20-/m0/s1
InChIKeyQEANTWDJTHIDIO-PNGKTBNWSA-N
MW344.50 g/mol
LogP5.52
Rot. Bonds1

About (1R)-5-[(1R)-10,10-dimethyl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-trien-5-yl]-10,10-dimethyl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-triene

(1R)-5-[(1R)-10,10-dimethyl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-trien-5-yl]-10,10-dimethyl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-triene (PubChem CID 59350038) has the molecular formula C24H28N2 and a molecular weight of 344.50 g/mol. Its IUPAC name is (1R)-5-[(1R)-10,10-dimethyl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-trien-5-yl]-10,10-dimethyl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-triene.

Molecular Properties

Compound Name(1R)-5-[(1R)-10,10-dimethyl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-trien-5-yl]-10,10-dimethyl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-triene
PubChem CID59350038
Molecular FormulaC24H28N2
Molecular Weight344.50 g/mol
Exact Mass344.23
IUPAC Name(1R)-5-[(1R)-10,10-dimethyl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-trien-5-yl]-10,10-dimethyl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-triene
SMILESCC1(C)C2Cc3cc(-c4cc5c(cn4)[C@@H]4CC(C5)C4(C)C)ncc3[C@@H]1C2
InChIInChI=1S/C24H28N2/c1-23(2)15-5-13-7-21(25-11-17(13)19(23)9-15)22-8-14-6-16-10-20(24(16,3)4)18(14)12-26-22/h7-8,11-12,15-16,19-20H,5-6,9-10H2,1-4H3/t15?,16?,19-,20-/m0/s1
InChIKeyQEANTWDJTHIDIO-PNGKTBNWSA-N
XLogP5.52
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.50
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1R)-5-[(1R)-10,10-dimethyl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-trien-5-yl]-10,10-dimethyl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-triene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R)-5-[(1R)-10,10-dimethyl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-trien-5-yl]-10,10-dimethyl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-triene?
The IUPAC name of (1R)-5-[(1R)-10,10-dimethyl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-trien-5-yl]-10,10-dimethyl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-triene (CID 59350038) is (1R)-5-[(1R)-10,10-dimethyl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-trien-5-yl]-10,10-dimethyl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-triene.
What is the SMILES notation for (1R)-5-[(1R)-10,10-dimethyl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-trien-5-yl]-10,10-dimethyl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-triene?
The canonical SMILES for (1R)-5-[(1R)-10,10-dimethyl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-trien-5-yl]-10,10-dimethyl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-triene is CC1(C)C2Cc3cc(-c4cc5c(cn4)[C@@H]4CC(C5)C4(C)C)ncc3[C@@H]1C2.
What is the InChIKey of (1R)-5-[(1R)-10,10-dimethyl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-trien-5-yl]-10,10-dimethyl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-triene?
The InChIKey is QEANTWDJTHIDIO-PNGKTBNWSA-N. The full InChI is InChI=1S/C24H28N2/c1-23(2)15-5-13-7-21(25-11-17(13)19(23)9-15)22-8-14-6-16-10-20(24(16,3)4)18(14)12-26-22/h7-8,11-12,15-16,19-20H,5-6,9-10H2,1-4H3/t15?,16?,19-,20-/m0/s1.
What are the key properties of (1R)-5-[(1R)-10,10-dimethyl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-trien-5-yl]-10,10-dimethyl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-triene?
(1R)-5-[(1R)-10,10-dimethyl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-trien-5-yl]-10,10-dimethyl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-triene has a molecular weight of 344.50 g/mol, XLogP of 5.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-5-[(1R)-10,10-dimethyl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-trien-5-yl]-10,10-dimethyl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-triene is sourced from PubChem (CID 59350038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).