4-cyclohexyl-3,5,7,11-tetramethyl-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene

C19H25N3 — CID 944963

IUPAC4-cyclohexyl-3,5,7,11-tetramethyl-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene
SMILESCc1cc2c3c(C)n(C4CCCCC4)c(C)c3c(C)nn2c1
InChIInChI=1S/C19H25N3/c1-12-10-17-19-15(4)22(16-8-6-5-7-9-16)14(3)18(19)13(2)20-21(17)11-12/h10-11,16H,5-9H2,1-4H3
InChIKeyGPUHMFCFZUBBBE-UHFFFAOYSA-N
MW295.43 g/mol
LogP5.03
Rot. Bonds1

About 4-cyclohexyl-3,5,7,11-tetramethyl-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene

4-cyclohexyl-3,5,7,11-tetramethyl-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene (PubChem CID 944963) has the molecular formula C19H25N3 and a molecular weight of 295.43 g/mol. Its IUPAC name is 4-cyclohexyl-3,5,7,11-tetramethyl-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene.

Molecular Properties

Compound Name4-cyclohexyl-3,5,7,11-tetramethyl-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene
PubChem CID944963
Molecular FormulaC19H25N3
Molecular Weight295.43 g/mol
Exact Mass295.20
IUPAC Name4-cyclohexyl-3,5,7,11-tetramethyl-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene
SMILESCc1cc2c3c(C)n(C4CCCCC4)c(C)c3c(C)nn2c1
InChIInChI=1S/C19H25N3/c1-12-10-17-19-15(4)22(16-8-6-5-7-9-16)14(3)18(19)13(2)20-21(17)11-12/h10-11,16H,5-9H2,1-4H3
InChIKeyGPUHMFCFZUBBBE-UHFFFAOYSA-N
XLogP5.03
TPSA22.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.43
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-3,5,7,11-tetramethyl-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene?
The IUPAC name of 4-cyclohexyl-3,5,7,11-tetramethyl-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene (CID 944963) is 4-cyclohexyl-3,5,7,11-tetramethyl-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene.
What is the SMILES notation for 4-cyclohexyl-3,5,7,11-tetramethyl-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene?
The canonical SMILES for 4-cyclohexyl-3,5,7,11-tetramethyl-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene is Cc1cc2c3c(C)n(C4CCCCC4)c(C)c3c(C)nn2c1.
What is the InChIKey of 4-cyclohexyl-3,5,7,11-tetramethyl-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene?
The InChIKey is GPUHMFCFZUBBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3/c1-12-10-17-19-15(4)22(16-8-6-5-7-9-16)14(3)18(19)13(2)20-21(17)11-12/h10-11,16H,5-9H2,1-4H3.
What are the key properties of 4-cyclohexyl-3,5,7,11-tetramethyl-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene?
4-cyclohexyl-3,5,7,11-tetramethyl-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene has a molecular weight of 295.43 g/mol, XLogP of 5.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-3,5,7,11-tetramethyl-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene is sourced from PubChem (CID 944963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).