17-methyl-17-azatetracyclo[8.7.0.02,8.011,16]heptadeca-1(10),2,7,11,13,15-hexaene

C17H17N — CID 166798198

IUPAC17-methyl-17-azatetracyclo[8.7.0.02,8.011,16]heptadeca-1(10),2,7,11,13,15-hexaene
SMILESCn1c2c(c3ccccc31)CC1=CCCCC=C12
InChIInChI=1S/C17H17N/c1-18-16-10-6-5-9-14(16)15-11-12-7-3-2-4-8-13(12)17(15)18/h5-10H,2-4,11H2,1H3
InChIKeyTVFHAOVBJDLRRD-UHFFFAOYSA-N
MW235.33 g/mol
LogP4.23
Rot. Bonds

About 17-methyl-17-azatetracyclo[8.7.0.02,8.011,16]heptadeca-1(10),2,7,11,13,15-hexaene

17-methyl-17-azatetracyclo[8.7.0.02,8.011,16]heptadeca-1(10),2,7,11,13,15-hexaene (PubChem CID 166798198) has the molecular formula C17H17N and a molecular weight of 235.33 g/mol. Its IUPAC name is 17-methyl-17-azatetracyclo[8.7.0.02,8.011,16]heptadeca-1(10),2,7,11,13,15-hexaene.

Molecular Properties

Compound Name17-methyl-17-azatetracyclo[8.7.0.02,8.011,16]heptadeca-1(10),2,7,11,13,15-hexaene
PubChem CID166798198
Molecular FormulaC17H17N
Molecular Weight235.33 g/mol
Exact Mass235.14
IUPAC Name17-methyl-17-azatetracyclo[8.7.0.02,8.011,16]heptadeca-1(10),2,7,11,13,15-hexaene
SMILESCn1c2c(c3ccccc31)CC1=CCCCC=C12
InChIInChI=1S/C17H17N/c1-18-16-10-6-5-9-14(16)15-11-12-7-3-2-4-8-13(12)17(15)18/h5-10H,2-4,11H2,1H3
InChIKeyTVFHAOVBJDLRRD-UHFFFAOYSA-N
XLogP4.23
TPSA4.93 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 ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 17-methyl-17-azatetracyclo[8.7.0.02,8.011,16]heptadeca-1(10),2,7,11,13,15-hexaene?
The IUPAC name of 17-methyl-17-azatetracyclo[8.7.0.02,8.011,16]heptadeca-1(10),2,7,11,13,15-hexaene (CID 166798198) is 17-methyl-17-azatetracyclo[8.7.0.02,8.011,16]heptadeca-1(10),2,7,11,13,15-hexaene.
What is the SMILES notation for 17-methyl-17-azatetracyclo[8.7.0.02,8.011,16]heptadeca-1(10),2,7,11,13,15-hexaene?
The canonical SMILES for 17-methyl-17-azatetracyclo[8.7.0.02,8.011,16]heptadeca-1(10),2,7,11,13,15-hexaene is Cn1c2c(c3ccccc31)CC1=CCCCC=C12.
What is the InChIKey of 17-methyl-17-azatetracyclo[8.7.0.02,8.011,16]heptadeca-1(10),2,7,11,13,15-hexaene?
The InChIKey is TVFHAOVBJDLRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N/c1-18-16-10-6-5-9-14(16)15-11-12-7-3-2-4-8-13(12)17(15)18/h5-10H,2-4,11H2,1H3.
What are the key properties of 17-methyl-17-azatetracyclo[8.7.0.02,8.011,16]heptadeca-1(10),2,7,11,13,15-hexaene?
17-methyl-17-azatetracyclo[8.7.0.02,8.011,16]heptadeca-1(10),2,7,11,13,15-hexaene has a molecular weight of 235.33 g/mol, XLogP of 4.23, 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[8.7.0.02,8.011,16]heptadeca-1(10),2,7,11,13,15-hexaene is sourced from PubChem (CID 166798198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).