8,8-dimethyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene

C16H14N2 — CID 155791470

IUPAC8,8-dimethyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene
SMILESCC1(C)c2ccccc2-n2cnc3cccc1c32
InChIInChI=1S/C16H14N2/c1-16(2)11-6-3-4-9-14(11)18-10-17-13-8-5-7-12(16)15(13)18/h3-10H,1-2H3
InChIKeyZVWZSLAPIHHQHK-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.66
Rot. Bonds

About 8,8-dimethyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene

8,8-dimethyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene (PubChem CID 155791470) has the molecular formula C16H14N2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 8,8-dimethyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene.

Molecular Properties

Compound Name8,8-dimethyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene
PubChem CID155791470
Molecular FormulaC16H14N2
Molecular Weight234.30 g/mol
Exact Mass234.12
IUPAC Name8,8-dimethyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene
SMILESCC1(C)c2ccccc2-n2cnc3cccc1c32
InChIInChI=1S/C16H14N2/c1-16(2)11-6-3-4-9-14(11)18-10-17-13-8-5-7-12(16)15(13)18/h3-10H,1-2H3
InChIKeyZVWZSLAPIHHQHK-UHFFFAOYSA-N
XLogP3.66
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene?
The IUPAC name of 8,8-dimethyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene (CID 155791470) is 8,8-dimethyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene.
What is the SMILES notation for 8,8-dimethyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene?
The canonical SMILES for 8,8-dimethyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene is CC1(C)c2ccccc2-n2cnc3cccc1c32.
What is the InChIKey of 8,8-dimethyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene?
The InChIKey is ZVWZSLAPIHHQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2/c1-16(2)11-6-3-4-9-14(11)18-10-17-13-8-5-7-12(16)15(13)18/h3-10H,1-2H3.
What are the key properties of 8,8-dimethyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene?
8,8-dimethyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene has a molecular weight of 234.30 g/mol, XLogP of 3.66, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene is sourced from PubChem (CID 155791470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).