16-methyl-16-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene

C17H17N — CID 56680506

IUPAC16-methyl-16-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene
SMILESCN1CC2Cc3ccccc3C1c1ccccc12
InChIInChI=1S/C17H17N/c1-18-11-13-10-12-6-2-3-8-15(12)17(18)16-9-5-4-7-14(13)16/h2-9,13,17H,10-11H2,1H3
InChIKeyCAPLZWSPLRNADS-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.36
Rot. Bonds

About 16-methyl-16-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene

16-methyl-16-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene (PubChem CID 56680506) has the molecular formula C17H17N and a molecular weight of 235.33 g/mol. Its IUPAC name is 16-methyl-16-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene.

Molecular Properties

Compound Name16-methyl-16-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene
PubChem CID56680506
Molecular FormulaC17H17N
Molecular Weight235.33 g/mol
Exact Mass235.14
IUPAC Name16-methyl-16-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene
SMILESCN1CC2Cc3ccccc3C1c1ccccc12
InChIInChI=1S/C17H17N/c1-18-11-13-10-12-6-2-3-8-15(12)17(18)16-9-5-4-7-14(13)16/h2-9,13,17H,10-11H2,1H3
InChIKeyCAPLZWSPLRNADS-UHFFFAOYSA-N
XLogP3.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 16-methyl-16-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene?
The IUPAC name of 16-methyl-16-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene (CID 56680506) is 16-methyl-16-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene.
What is the SMILES notation for 16-methyl-16-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene?
The canonical SMILES for 16-methyl-16-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene is CN1CC2Cc3ccccc3C1c1ccccc12.
What is the InChIKey of 16-methyl-16-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene?
The InChIKey is CAPLZWSPLRNADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N/c1-18-11-13-10-12-6-2-3-8-15(12)17(18)16-9-5-4-7-14(13)16/h2-9,13,17H,10-11H2,1H3.
What are the key properties of 16-methyl-16-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene?
16-methyl-16-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene has a molecular weight of 235.33 g/mol, XLogP of 3.36, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 16-methyl-16-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene is sourced from PubChem (CID 56680506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).