10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),6-triene

C17H24N2 — CID 57224346

IUPAC10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),6-triene
SMILESCC1C2CC3=C4C=CCNC(C)(C3)C(C)C1N=C2C4
InChIInChI=1S/C17H24N2/c1-10-14-7-13-9-17(3)11(2)16(10)19-15(14)8-12(13)5-4-6-18-17/h4-5,10-11,14,16,18H,6-9H2,1-3H3
InChIKeyGEGQSPJSRRTFOA-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.11
Rot. Bonds

About 10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),6-triene

10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),6-triene (PubChem CID 57224346) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),6-triene.

Molecular Properties

Compound Name10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),6-triene
PubChem CID57224346
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),6-triene
SMILESCC1C2CC3=C4C=CCNC(C)(C3)C(C)C1N=C2C4
InChIInChI=1S/C17H24N2/c1-10-14-7-13-9-17(3)11(2)16(10)19-15(14)8-12(13)5-4-6-18-17/h4-5,10-11,14,16,18H,6-9H2,1-3H3
InChIKeyGEGQSPJSRRTFOA-UHFFFAOYSA-N
XLogP3.11
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),6-triene?
The IUPAC name of 10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),6-triene (CID 57224346) is 10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),6-triene.
What is the SMILES notation for 10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),6-triene?
The canonical SMILES for 10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),6-triene is CC1C2CC3=C4C=CCNC(C)(C3)C(C)C1N=C2C4.
What is the InChIKey of 10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),6-triene?
The InChIKey is GEGQSPJSRRTFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-10-14-7-13-9-17(3)11(2)16(10)19-15(14)8-12(13)5-4-6-18-17/h4-5,10-11,14,16,18H,6-9H2,1-3H3.
What are the key properties of 10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),6-triene?
10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),6-triene has a molecular weight of 256.39 g/mol, XLogP of 3.11, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),6-triene is sourced from PubChem (CID 57224346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).