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

C18H26N2 — CID 57278890

IUPAC9,10,15,16-tetramethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),6-triene
SMILESCC1C2CC3=C4C=CCN(C)C(C)(C3)C(C)C1N=C2C4
InChIInChI=1S/C18H26N2/c1-11-15-8-14-10-18(3)12(2)17(11)19-16(15)9-13(14)6-5-7-20(18)4/h5-6,11-12,15,17H,7-10H2,1-4H3
InChIKeyQRVRRFRIHYYRPT-UHFFFAOYSA-N
MW270.42 g/mol
LogP3.45
Rot. Bonds

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

9,10,15,16-tetramethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),6-triene (PubChem CID 57278890) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 9,10,15,16-tetramethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),6-triene.

Molecular Properties

Compound Name9,10,15,16-tetramethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),6-triene
PubChem CID57278890
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name9,10,15,16-tetramethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),6-triene
SMILESCC1C2CC3=C4C=CCN(C)C(C)(C3)C(C)C1N=C2C4
InChIInChI=1S/C18H26N2/c1-11-15-8-14-10-18(3)12(2)17(11)19-16(15)9-13(14)6-5-7-20(18)4/h5-6,11-12,15,17H,7-10H2,1-4H3
InChIKeyQRVRRFRIHYYRPT-UHFFFAOYSA-N
XLogP3.45
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9,10,15,16-tetramethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),6-triene?
The IUPAC name of 9,10,15,16-tetramethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),6-triene (CID 57278890) is 9,10,15,16-tetramethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),6-triene.
What is the SMILES notation for 9,10,15,16-tetramethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),6-triene?
The canonical SMILES for 9,10,15,16-tetramethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),6-triene is CC1C2CC3=C4C=CCN(C)C(C)(C3)C(C)C1N=C2C4.
What is the InChIKey of 9,10,15,16-tetramethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),6-triene?
The InChIKey is QRVRRFRIHYYRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-11-15-8-14-10-18(3)12(2)17(11)19-16(15)9-13(14)6-5-7-20(18)4/h5-6,11-12,15,17H,7-10H2,1-4H3.
What are the key properties of 9,10,15,16-tetramethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),6-triene?
9,10,15,16-tetramethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),6-triene has a molecular weight of 270.42 g/mol, XLogP of 3.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10,15,16-tetramethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),6-triene is sourced from PubChem (CID 57278890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).