1,8,8-trimethyl-4-(2,4,6-trimethylphenyl)-2,4-diazabicyclo[3.2.1]oct-2-ene

C18H26N2 — CID 134840774

IUPAC1,8,8-trimethyl-4-(2,4,6-trimethylphenyl)-2,4-diazabicyclo[3.2.1]oct-2-ene
SMILESCc1cc(C)c(N2C=NC3(C)CCC2C3(C)C)c(C)c1
InChIInChI=1S/C18H26N2/c1-12-9-13(2)16(14(3)10-12)20-11-19-18(6)8-7-15(20)17(18,4)5/h9-11,15H,7-8H2,1-6H3
InChIKeySBPXKADMFCTFQV-UHFFFAOYSA-N
MW270.42 g/mol
LogP4.41
Rot. Bonds1

About 1,8,8-trimethyl-4-(2,4,6-trimethylphenyl)-2,4-diazabicyclo[3.2.1]oct-2-ene

1,8,8-trimethyl-4-(2,4,6-trimethylphenyl)-2,4-diazabicyclo[3.2.1]oct-2-ene (PubChem CID 134840774) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 1,8,8-trimethyl-4-(2,4,6-trimethylphenyl)-2,4-diazabicyclo[3.2.1]oct-2-ene.

Molecular Properties

Compound Name1,8,8-trimethyl-4-(2,4,6-trimethylphenyl)-2,4-diazabicyclo[3.2.1]oct-2-ene
PubChem CID134840774
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name1,8,8-trimethyl-4-(2,4,6-trimethylphenyl)-2,4-diazabicyclo[3.2.1]oct-2-ene
SMILESCc1cc(C)c(N2C=NC3(C)CCC2C3(C)C)c(C)c1
InChIInChI=1S/C18H26N2/c1-12-9-13(2)16(14(3)10-12)20-11-19-18(6)8-7-15(20)17(18,4)5/h9-11,15H,7-8H2,1-6H3
InChIKeySBPXKADMFCTFQV-UHFFFAOYSA-N
XLogP4.41
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,8,8-trimethyl-4-(2,4,6-trimethylphenyl)-2,4-diazabicyclo[3.2.1]oct-2-ene?
The IUPAC name of 1,8,8-trimethyl-4-(2,4,6-trimethylphenyl)-2,4-diazabicyclo[3.2.1]oct-2-ene (CID 134840774) is 1,8,8-trimethyl-4-(2,4,6-trimethylphenyl)-2,4-diazabicyclo[3.2.1]oct-2-ene.
What is the SMILES notation for 1,8,8-trimethyl-4-(2,4,6-trimethylphenyl)-2,4-diazabicyclo[3.2.1]oct-2-ene?
The canonical SMILES for 1,8,8-trimethyl-4-(2,4,6-trimethylphenyl)-2,4-diazabicyclo[3.2.1]oct-2-ene is Cc1cc(C)c(N2C=NC3(C)CCC2C3(C)C)c(C)c1.
What is the InChIKey of 1,8,8-trimethyl-4-(2,4,6-trimethylphenyl)-2,4-diazabicyclo[3.2.1]oct-2-ene?
The InChIKey is SBPXKADMFCTFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-12-9-13(2)16(14(3)10-12)20-11-19-18(6)8-7-15(20)17(18,4)5/h9-11,15H,7-8H2,1-6H3.
What are the key properties of 1,8,8-trimethyl-4-(2,4,6-trimethylphenyl)-2,4-diazabicyclo[3.2.1]oct-2-ene?
1,8,8-trimethyl-4-(2,4,6-trimethylphenyl)-2,4-diazabicyclo[3.2.1]oct-2-ene has a molecular weight of 270.42 g/mol, XLogP of 4.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8,8-trimethyl-4-(2,4,6-trimethylphenyl)-2,4-diazabicyclo[3.2.1]oct-2-ene is sourced from PubChem (CID 134840774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).