6,13-dimethyl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,9,12-hexaene

C16H16N2 — CID 10609862

IUPAC6,13-dimethyl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,9,12-hexaene
SMILESCC1=CC2C=NC3C=C(C)C=C4C=NC(=C1)C2C43
InChIInChI=1S/C16H16N2/c1-9-3-11-7-18-14-6-10(2)4-12-8-17-13(5-9)15(11)16(12)14/h3-8,11,14-16H,1-2H3
InChIKeyVXWXXMZLYNSWPT-UHFFFAOYSA-N
MW236.32 g/mol
LogP3.10
Rot. Bonds

About 6,13-dimethyl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,9,12-hexaene

6,13-dimethyl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,9,12-hexaene (PubChem CID 10609862) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 6,13-dimethyl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,9,12-hexaene.

Molecular Properties

Compound Name6,13-dimethyl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,9,12-hexaene
PubChem CID10609862
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name6,13-dimethyl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,9,12-hexaene
SMILESCC1=CC2C=NC3C=C(C)C=C4C=NC(=C1)C2C43
InChIInChI=1S/C16H16N2/c1-9-3-11-7-18-14-6-10(2)4-12-8-17-13(5-9)15(11)16(12)14/h3-8,11,14-16H,1-2H3
InChIKeyVXWXXMZLYNSWPT-UHFFFAOYSA-N
XLogP3.10
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6,13-dimethyl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,9,12-hexaene with MolForge

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Related Compounds

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2,9-Dimethyl-2,9-diazoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,9,12-hexaene
CID 10526717
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Frequently Asked Questions

What is the IUPAC name of 6,13-dimethyl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,9,12-hexaene?
The IUPAC name of 6,13-dimethyl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,9,12-hexaene (CID 10609862) is 6,13-dimethyl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,9,12-hexaene.
What is the SMILES notation for 6,13-dimethyl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,9,12-hexaene?
The canonical SMILES for 6,13-dimethyl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,9,12-hexaene is CC1=CC2C=NC3C=C(C)C=C4C=NC(=C1)C2C43.
What is the InChIKey of 6,13-dimethyl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,9,12-hexaene?
The InChIKey is VXWXXMZLYNSWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2/c1-9-3-11-7-18-14-6-10(2)4-12-8-17-13(5-9)15(11)16(12)14/h3-8,11,14-16H,1-2H3.
What are the key properties of 6,13-dimethyl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,9,12-hexaene?
6,13-dimethyl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,9,12-hexaene has a molecular weight of 236.32 g/mol, XLogP of 3.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,13-dimethyl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,9,12-hexaene is sourced from PubChem (CID 10609862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).