4,6-dimethyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,9(16),12-tetraene

C16H20N2 — CID 70523282

IUPAC4,6-dimethyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,9(16),12-tetraene
SMILESCC1=CC2=C3CCC=C4NCC(=C43)CC2C(C)N1
InChIInChI=1S/C16H20N2/c1-9-6-14-12-4-3-5-15-16(12)11(8-17-15)7-13(14)10(2)18-9/h5-6,10,13,17-18H,3-4,7-8H2,1-2H3
InChIKeyVBQDLWVQRWXUOA-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.78
Rot. Bonds

About 4,6-dimethyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,9(16),12-tetraene

4,6-dimethyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,9(16),12-tetraene (PubChem CID 70523282) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 4,6-dimethyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,9(16),12-tetraene.

Molecular Properties

Compound Name4,6-dimethyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,9(16),12-tetraene
PubChem CID70523282
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name4,6-dimethyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,9(16),12-tetraene
SMILESCC1=CC2=C3CCC=C4NCC(=C43)CC2C(C)N1
InChIInChI=1S/C16H20N2/c1-9-6-14-12-4-3-5-15-16(12)11(8-17-15)7-13(14)10(2)18-9/h5-6,10,13,17-18H,3-4,7-8H2,1-2H3
InChIKeyVBQDLWVQRWXUOA-UHFFFAOYSA-N
XLogP2.78
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4,6-dimethyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,9(16),12-tetraene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,9(16),12-tetraene?
The IUPAC name of 4,6-dimethyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,9(16),12-tetraene (CID 70523282) is 4,6-dimethyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,9(16),12-tetraene.
What is the SMILES notation for 4,6-dimethyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,9(16),12-tetraene?
The canonical SMILES for 4,6-dimethyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,9(16),12-tetraene is CC1=CC2=C3CCC=C4NCC(=C43)CC2C(C)N1.
What is the InChIKey of 4,6-dimethyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,9(16),12-tetraene?
The InChIKey is VBQDLWVQRWXUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-9-6-14-12-4-3-5-15-16(12)11(8-17-15)7-13(14)10(2)18-9/h5-6,10,13,17-18H,3-4,7-8H2,1-2H3.
What are the key properties of 4,6-dimethyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,9(16),12-tetraene?
4,6-dimethyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,9(16),12-tetraene has a molecular weight of 240.35 g/mol, XLogP of 2.78, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,9(16),12-tetraene is sourced from PubChem (CID 70523282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).