1,9,16-trimethyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene

C18H19N — CID 12533743

IUPAC1,9,16-trimethyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene
SMILESCN1C2(C)Cc3ccccc3C1(C)c1ccccc12
InChIInChI=1S/C18H19N/c1-17-12-13-8-4-5-9-14(13)18(2,19(17)3)16-11-7-6-10-15(16)17/h4-11H,12H2,1-3H3
InChIKeyNTYASZOGDPMGGG-UHFFFAOYSA-N
MW249.36 g/mol
LogP3.67
Rot. Bonds

About 1,9,16-trimethyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene

1,9,16-trimethyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene (PubChem CID 12533743) has the molecular formula C18H19N and a molecular weight of 249.36 g/mol. Its IUPAC name is 1,9,16-trimethyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene.

Molecular Properties

Compound Name1,9,16-trimethyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene
PubChem CID12533743
Molecular FormulaC18H19N
Molecular Weight249.36 g/mol
Exact Mass249.15
IUPAC Name1,9,16-trimethyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene
SMILESCN1C2(C)Cc3ccccc3C1(C)c1ccccc12
InChIInChI=1S/C18H19N/c1-17-12-13-8-4-5-9-14(13)18(2,19(17)3)16-11-7-6-10-15(16)17/h4-11H,12H2,1-3H3
InChIKeyNTYASZOGDPMGGG-UHFFFAOYSA-N
XLogP3.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,9,16-trimethyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene 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 1,9,16-trimethyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene?
The IUPAC name of 1,9,16-trimethyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene (CID 12533743) is 1,9,16-trimethyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene.
What is the SMILES notation for 1,9,16-trimethyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene?
The canonical SMILES for 1,9,16-trimethyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene is CN1C2(C)Cc3ccccc3C1(C)c1ccccc12.
What is the InChIKey of 1,9,16-trimethyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene?
The InChIKey is NTYASZOGDPMGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N/c1-17-12-13-8-4-5-9-14(13)18(2,19(17)3)16-11-7-6-10-15(16)17/h4-11H,12H2,1-3H3.
What are the key properties of 1,9,16-trimethyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene?
1,9,16-trimethyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene has a molecular weight of 249.36 g/mol, XLogP of 3.67, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9,16-trimethyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene is sourced from PubChem (CID 12533743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).