10,15,16-trimethyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),7-triene

C17H24N2 — CID 19879772

IUPAC10,15,16-trimethyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),7-triene
SMILESCC1C2CC3=C4C=C2NC1C(C)C(C)(C/N=C\C4)C3
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/h5,7,10-11,14,16,19H,4,6,8-9H2,1-3H3/b18-5-
InChIKeyWMNUQULZUAQTAE-DVZOWYKESA-N
MW256.39 g/mol
LogP3.32
Rot. Bonds

About 10,15,16-trimethyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),7-triene

10,15,16-trimethyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),7-triene (PubChem CID 19879772) 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-3,5(12),7-triene.

Molecular Properties

Compound Name10,15,16-trimethyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),7-triene
PubChem CID19879772
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-3,5(12),7-triene
SMILESCC1C2CC3=C4C=C2NC1C(C)C(C)(C/N=C\C4)C3
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/h5,7,10-11,14,16,19H,4,6,8-9H2,1-3H3/b18-5-
InChIKeyWMNUQULZUAQTAE-DVZOWYKESA-N
XLogP3.32
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 ≤ 53.32
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-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),7-triene?
The IUPAC name of 10,15,16-trimethyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),7-triene (CID 19879772) is 10,15,16-trimethyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),7-triene.
What is the SMILES notation for 10,15,16-trimethyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),7-triene?
The canonical SMILES for 10,15,16-trimethyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),7-triene is CC1C2CC3=C4C=C2NC1C(C)C(C)(C/N=C\C4)C3.
What is the InChIKey of 10,15,16-trimethyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),7-triene?
The InChIKey is WMNUQULZUAQTAE-DVZOWYKESA-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/h5,7,10-11,14,16,19H,4,6,8-9H2,1-3H3/b18-5-.
What are the key properties of 10,15,16-trimethyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),7-triene?
10,15,16-trimethyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),7-triene has a molecular weight of 256.39 g/mol, XLogP of 3.32, 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-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),7-triene is sourced from PubChem (CID 19879772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).