9,17,17-trimethyl-12,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene

C18H16N2 — CID 58050031

IUPAC9,17,17-trimethyl-12,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene
SMILESCc1cc2ccccc2c2c1-c1nccnc1C2(C)C
InChIInChI=1S/C18H16N2/c1-11-10-12-6-4-5-7-13(12)15-14(11)16-17(18(15,2)3)20-9-8-19-16/h4-10H,1-3H3
InChIKeyUGZWELVUXHUSKV-UHFFFAOYSA-N
MW260.34 g/mol
LogP4.24
Rot. Bonds

About 9,17,17-trimethyl-12,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene

9,17,17-trimethyl-12,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene (PubChem CID 58050031) has the molecular formula C18H16N2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 9,17,17-trimethyl-12,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene.

Molecular Properties

Compound Name9,17,17-trimethyl-12,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene
PubChem CID58050031
Molecular FormulaC18H16N2
Molecular Weight260.34 g/mol
Exact Mass260.13
IUPAC Name9,17,17-trimethyl-12,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene
SMILESCc1cc2ccccc2c2c1-c1nccnc1C2(C)C
InChIInChI=1S/C18H16N2/c1-11-10-12-6-4-5-7-13(12)15-14(11)16-17(18(15,2)3)20-9-8-19-16/h4-10H,1-3H3
InChIKeyUGZWELVUXHUSKV-UHFFFAOYSA-N
XLogP4.24
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9,17,17-trimethyl-12,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene with MolForge

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Related Compounds

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CID 58049992
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CID 157150942
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CID 123897654
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Frequently Asked Questions

What is the IUPAC name of 9,17,17-trimethyl-12,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene?
The IUPAC name of 9,17,17-trimethyl-12,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene (CID 58050031) is 9,17,17-trimethyl-12,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene.
What is the SMILES notation for 9,17,17-trimethyl-12,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene?
The canonical SMILES for 9,17,17-trimethyl-12,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene is Cc1cc2ccccc2c2c1-c1nccnc1C2(C)C.
What is the InChIKey of 9,17,17-trimethyl-12,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene?
The InChIKey is UGZWELVUXHUSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2/c1-11-10-12-6-4-5-7-13(12)15-14(11)16-17(18(15,2)3)20-9-8-19-16/h4-10H,1-3H3.
What are the key properties of 9,17,17-trimethyl-12,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene?
9,17,17-trimethyl-12,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene has a molecular weight of 260.34 g/mol, XLogP of 4.24, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,17,17-trimethyl-12,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene is sourced from PubChem (CID 58050031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).