1,4-dimethyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaene

C17H17N — CID 15628574

IUPAC1,4-dimethyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaene
SMILESCc1ccc2c(c1)C1(C)NC(C2)c2ccccc21
InChIInChI=1S/C17H17N/c1-11-7-8-12-10-16-13-5-3-4-6-14(13)17(2,18-16)15(12)9-11/h3-9,16,18H,10H2,1-2H3
InChIKeyDGTUVJAVPZIMON-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.46
Rot. Bonds

About 1,4-dimethyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaene

1,4-dimethyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaene (PubChem CID 15628574) has the molecular formula C17H17N and a molecular weight of 235.33 g/mol. Its IUPAC name is 1,4-dimethyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaene.

Molecular Properties

Compound Name1,4-dimethyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaene
PubChem CID15628574
Molecular FormulaC17H17N
Molecular Weight235.33 g/mol
Exact Mass235.14
IUPAC Name1,4-dimethyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaene
SMILESCc1ccc2c(c1)C1(C)NC(C2)c2ccccc21
InChIInChI=1S/C17H17N/c1-11-7-8-12-10-16-13-5-3-4-6-14(13)17(2,18-16)15(12)9-11/h3-9,16,18H,10H2,1-2H3
InChIKeyDGTUVJAVPZIMON-UHFFFAOYSA-N
XLogP3.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaene?
The IUPAC name of 1,4-dimethyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaene (CID 15628574) is 1,4-dimethyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaene.
What is the SMILES notation for 1,4-dimethyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaene?
The canonical SMILES for 1,4-dimethyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaene is Cc1ccc2c(c1)C1(C)NC(C2)c2ccccc21.
What is the InChIKey of 1,4-dimethyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaene?
The InChIKey is DGTUVJAVPZIMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N/c1-11-7-8-12-10-16-13-5-3-4-6-14(13)17(2,18-16)15(12)9-11/h3-9,16,18H,10H2,1-2H3.
What are the key properties of 1,4-dimethyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaene?
1,4-dimethyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaene has a molecular weight of 235.33 g/mol, XLogP of 3.46, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaene is sourced from PubChem (CID 15628574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).