17-methyl-17-azatetracyclo[8.6.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaene

C17H17N — CID 12533749

IUPAC17-methyl-17-azatetracyclo[8.6.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaene
SMILESCN1C2CCc3ccccc3C1c1ccccc12
InChIInChI=1S/C17H17N/c1-18-16-11-10-12-6-2-3-7-13(12)17(18)15-9-5-4-8-14(15)16/h2-9,16-17H,10-11H2,1H3
InChIKeyUBLNRDNAFCSEDA-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.71
Rot. Bonds

About 17-methyl-17-azatetracyclo[8.6.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaene

17-methyl-17-azatetracyclo[8.6.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaene (PubChem CID 12533749) has the molecular formula C17H17N and a molecular weight of 235.33 g/mol. Its IUPAC name is 17-methyl-17-azatetracyclo[8.6.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaene.

Molecular Properties

Compound Name17-methyl-17-azatetracyclo[8.6.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaene
PubChem CID12533749
Molecular FormulaC17H17N
Molecular Weight235.33 g/mol
Exact Mass235.14
IUPAC Name17-methyl-17-azatetracyclo[8.6.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaene
SMILESCN1C2CCc3ccccc3C1c1ccccc12
InChIInChI=1S/C17H17N/c1-18-16-11-10-12-6-2-3-7-13(12)17(18)15-9-5-4-8-14(15)16/h2-9,16-17H,10-11H2,1H3
InChIKeyUBLNRDNAFCSEDA-UHFFFAOYSA-N
XLogP3.71
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 ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 17-methyl-17-azatetracyclo[8.6.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 17-methyl-17-azatetracyclo[8.6.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaene?
The IUPAC name of 17-methyl-17-azatetracyclo[8.6.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaene (CID 12533749) is 17-methyl-17-azatetracyclo[8.6.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaene.
What is the SMILES notation for 17-methyl-17-azatetracyclo[8.6.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaene?
The canonical SMILES for 17-methyl-17-azatetracyclo[8.6.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaene is CN1C2CCc3ccccc3C1c1ccccc12.
What is the InChIKey of 17-methyl-17-azatetracyclo[8.6.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaene?
The InChIKey is UBLNRDNAFCSEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N/c1-18-16-11-10-12-6-2-3-7-13(12)17(18)15-9-5-4-8-14(15)16/h2-9,16-17H,10-11H2,1H3.
What are the key properties of 17-methyl-17-azatetracyclo[8.6.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaene?
17-methyl-17-azatetracyclo[8.6.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaene has a molecular weight of 235.33 g/mol, XLogP of 3.71, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 17-methyl-17-azatetracyclo[8.6.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaene is sourced from PubChem (CID 12533749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).