10,15,16-trimethyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),8-triene

C17H24N2 — CID 57255343

IUPAC10,15,16-trimethyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),8-triene
SMILESCC1C2CC3=C4CC/N=C\C(C)(C3)C(C)C1N=C2C4
InChIInChI=1S/C17H24N2/c1-10-14-6-13-8-17(3)9-18-5-4-12(13)7-15(14)19-16(10)11(17)2/h9-11,14,16H,4-8H2,1-3H3/b18-9-
InChIKeyWUNJGUOZCHLSPB-NVMNQCDNSA-N
MW256.39 g/mol
LogP3.67
Rot. Bonds

About 10,15,16-trimethyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),8-triene

10,15,16-trimethyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),8-triene (PubChem CID 57255343) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 10,15,16-trimethyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),8-triene.

Molecular Properties

Compound Name10,15,16-trimethyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),8-triene
PubChem CID57255343
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name10,15,16-trimethyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),8-triene
SMILESCC1C2CC3=C4CC/N=C\C(C)(C3)C(C)C1N=C2C4
InChIInChI=1S/C17H24N2/c1-10-14-6-13-8-17(3)9-18-5-4-12(13)7-15(14)19-16(10)11(17)2/h9-11,14,16H,4-8H2,1-3H3/b18-9-
InChIKeyWUNJGUOZCHLSPB-NVMNQCDNSA-N
XLogP3.67
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

15-Methyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),8-triene
CID 57021968
10,16-Dimethyl-15-(3-methylbut-2-enyl)-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),8-triene
CID 57053520
10,16-Diethyl-15-methyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),8-triene
CID 57113705
10,16-Dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-4(11),5,8,14-tetraene
CID 57141995
6-Chloro-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-4(11),5,8,14-tetraene
CID 57157118
10,16-Dimethyl-7,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-4(11),5,7,14-tetraene
CID 57322914

Frequently Asked Questions

What is the IUPAC name of 10,15,16-trimethyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),8-triene?
The IUPAC name of 10,15,16-trimethyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),8-triene (CID 57255343) is 10,15,16-trimethyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),8-triene.
What is the SMILES notation for 10,15,16-trimethyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),8-triene?
The canonical SMILES for 10,15,16-trimethyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),8-triene is CC1C2CC3=C4CC/N=C\C(C)(C3)C(C)C1N=C2C4.
What is the InChIKey of 10,15,16-trimethyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),8-triene?
The InChIKey is WUNJGUOZCHLSPB-NVMNQCDNSA-N. The full InChI is InChI=1S/C17H24N2/c1-10-14-6-13-8-17(3)9-18-5-4-12(13)7-15(14)19-16(10)11(17)2/h9-11,14,16H,4-8H2,1-3H3/b18-9-.
What are the key properties of 10,15,16-trimethyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),8-triene?
10,15,16-trimethyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),8-triene has a molecular weight of 256.39 g/mol, XLogP of 3.67, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10,15,16-trimethyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),8-triene is sourced from PubChem (CID 57255343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).