12,12,14,14-tetramethyl-17-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8,11(15)-hexaene

C20H23N — CID 123287077

IUPAC12,12,14,14-tetramethyl-17-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8,11(15)-hexaene
SMILESCC1(C)CC(C)(C)C2=C1CNc1c2ccc2ccccc12
InChIInChI=1S/C20H23N/c1-19(2)12-20(3,4)17-15-10-9-13-7-5-6-8-14(13)18(15)21-11-16(17)19/h5-10,21H,11-12H2,1-4H3
InChIKeyDTKBKDQCNVRXIT-UHFFFAOYSA-N
MW277.41 g/mol
LogP5.47
Rot. Bonds

About 12,12,14,14-tetramethyl-17-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8,11(15)-hexaene

12,12,14,14-tetramethyl-17-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8,11(15)-hexaene (PubChem CID 123287077) has the molecular formula C20H23N and a molecular weight of 277.41 g/mol. Its IUPAC name is 12,12,14,14-tetramethyl-17-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8,11(15)-hexaene.

Molecular Properties

Compound Name12,12,14,14-tetramethyl-17-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8,11(15)-hexaene
PubChem CID123287077
Molecular FormulaC20H23N
Molecular Weight277.41 g/mol
Exact Mass277.18
IUPAC Name12,12,14,14-tetramethyl-17-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8,11(15)-hexaene
SMILESCC1(C)CC(C)(C)C2=C1CNc1c2ccc2ccccc12
InChIInChI=1S/C20H23N/c1-19(2)12-20(3,4)17-15-10-9-13-7-5-6-8-14(13)18(15)21-11-16(17)19/h5-10,21H,11-12H2,1-4H3
InChIKeyDTKBKDQCNVRXIT-UHFFFAOYSA-N
XLogP5.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.41
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 12,12,14,14-tetramethyl-17-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8,11(15)-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 12,12,14,14-tetramethyl-17-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8,11(15)-hexaene?
The IUPAC name of 12,12,14,14-tetramethyl-17-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8,11(15)-hexaene (CID 123287077) is 12,12,14,14-tetramethyl-17-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8,11(15)-hexaene.
What is the SMILES notation for 12,12,14,14-tetramethyl-17-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8,11(15)-hexaene?
The canonical SMILES for 12,12,14,14-tetramethyl-17-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8,11(15)-hexaene is CC1(C)CC(C)(C)C2=C1CNc1c2ccc2ccccc12.
What is the InChIKey of 12,12,14,14-tetramethyl-17-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8,11(15)-hexaene?
The InChIKey is DTKBKDQCNVRXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N/c1-19(2)12-20(3,4)17-15-10-9-13-7-5-6-8-14(13)18(15)21-11-16(17)19/h5-10,21H,11-12H2,1-4H3.
What are the key properties of 12,12,14,14-tetramethyl-17-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8,11(15)-hexaene?
12,12,14,14-tetramethyl-17-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8,11(15)-hexaene has a molecular weight of 277.41 g/mol, XLogP of 5.47, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 12,12,14,14-tetramethyl-17-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8,11(15)-hexaene is sourced from PubChem (CID 123287077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).