7-cyclohexyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10(15)-tetraene

C20H26N2 — CID 58458399

IUPAC7-cyclohexyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10(15)-tetraene
SMILESc1c(C2CCCCC2)cc2c3c(n4c2c1NCC4)CCCC3
InChIInChI=1S/C20H26N2/c1-2-6-14(7-3-1)15-12-17-16-8-4-5-9-19(16)22-11-10-21-18(13-15)20(17)22/h12-14,21H,1-11H2
InChIKeyOHSBCPUFUOVEKK-UHFFFAOYSA-N
MW294.44 g/mol
LogP4.99
Rot. Bonds1

About 7-cyclohexyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10(15)-tetraene

7-cyclohexyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10(15)-tetraene (PubChem CID 58458399) has the molecular formula C20H26N2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 7-cyclohexyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10(15)-tetraene.

Molecular Properties

Compound Name7-cyclohexyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10(15)-tetraene
PubChem CID58458399
Molecular FormulaC20H26N2
Molecular Weight294.44 g/mol
Exact Mass294.21
IUPAC Name7-cyclohexyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10(15)-tetraene
SMILESc1c(C2CCCCC2)cc2c3c(n4c2c1NCC4)CCCC3
InChIInChI=1S/C20H26N2/c1-2-6-14(7-3-1)15-12-17-16-8-4-5-9-19(16)22-11-10-21-18(13-15)20(17)22/h12-14,21H,1-11H2
InChIKeyOHSBCPUFUOVEKK-UHFFFAOYSA-N
XLogP4.99
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-cyclohexyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10(15)-tetraene?
The IUPAC name of 7-cyclohexyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10(15)-tetraene (CID 58458399) is 7-cyclohexyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10(15)-tetraene.
What is the SMILES notation for 7-cyclohexyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10(15)-tetraene?
The canonical SMILES for 7-cyclohexyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10(15)-tetraene is c1c(C2CCCCC2)cc2c3c(n4c2c1NCC4)CCCC3.
What is the InChIKey of 7-cyclohexyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10(15)-tetraene?
The InChIKey is OHSBCPUFUOVEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2/c1-2-6-14(7-3-1)15-12-17-16-8-4-5-9-19(16)22-11-10-21-18(13-15)20(17)22/h12-14,21H,1-11H2.
What are the key properties of 7-cyclohexyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10(15)-tetraene?
7-cyclohexyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10(15)-tetraene has a molecular weight of 294.44 g/mol, XLogP of 4.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10(15)-tetraene is sourced from PubChem (CID 58458399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).