6,9,13,17-tetramethyl-6,13,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-2,4,8,11,15-pentaene

C18H23N3 — CID 23463443

IUPAC6,9,13,17-tetramethyl-6,13,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-2,4,8,11,15-pentaene
SMILESCC1=C2CN(C)C=CC2=CC2C1C1=CN(C)CC=C1N2C
InChIInChI=1S/C18H23N3/c1-12-14-10-19(2)7-5-13(14)9-17-18(12)15-11-20(3)8-6-16(15)21(17)4/h5-7,9,11,17-18H,8,10H2,1-4H3
InChIKeyHLSKLTQXRIPDMY-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.35
Rot. Bonds

About 6,9,13,17-tetramethyl-6,13,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-2,4,8,11,15-pentaene

6,9,13,17-tetramethyl-6,13,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-2,4,8,11,15-pentaene (PubChem CID 23463443) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 6,9,13,17-tetramethyl-6,13,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-2,4,8,11,15-pentaene.

Molecular Properties

Compound Name6,9,13,17-tetramethyl-6,13,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-2,4,8,11,15-pentaene
PubChem CID23463443
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name6,9,13,17-tetramethyl-6,13,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-2,4,8,11,15-pentaene
SMILESCC1=C2CN(C)C=CC2=CC2C1C1=CN(C)CC=C1N2C
InChIInChI=1S/C18H23N3/c1-12-14-10-19(2)7-5-13(14)9-17-18(12)15-11-20(3)8-6-16(15)21(17)4/h5-7,9,11,17-18H,8,10H2,1-4H3
InChIKeyHLSKLTQXRIPDMY-UHFFFAOYSA-N
XLogP2.35
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,9,13,17-tetramethyl-6,13,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-2,4,8,11,15-pentaene?
The IUPAC name of 6,9,13,17-tetramethyl-6,13,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-2,4,8,11,15-pentaene (CID 23463443) is 6,9,13,17-tetramethyl-6,13,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-2,4,8,11,15-pentaene.
What is the SMILES notation for 6,9,13,17-tetramethyl-6,13,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-2,4,8,11,15-pentaene?
The canonical SMILES for 6,9,13,17-tetramethyl-6,13,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-2,4,8,11,15-pentaene is CC1=C2CN(C)C=CC2=CC2C1C1=CN(C)CC=C1N2C.
What is the InChIKey of 6,9,13,17-tetramethyl-6,13,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-2,4,8,11,15-pentaene?
The InChIKey is HLSKLTQXRIPDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-12-14-10-19(2)7-5-13(14)9-17-18(12)15-11-20(3)8-6-16(15)21(17)4/h5-7,9,11,17-18H,8,10H2,1-4H3.
What are the key properties of 6,9,13,17-tetramethyl-6,13,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-2,4,8,11,15-pentaene?
6,9,13,17-tetramethyl-6,13,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-2,4,8,11,15-pentaene has a molecular weight of 281.40 g/mol, XLogP of 2.35, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,9,13,17-tetramethyl-6,13,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-2,4,8,11,15-pentaene is sourced from PubChem (CID 23463443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).