1,6,6-trimethyl-4,4-diphenyl-2,3-diazabicyclo[3.1.0]hex-2-ene

C19H20N2 — CID 3806423

IUPAC1,6,6-trimethyl-4,4-diphenyl-2,3-diazabicyclo[3.1.0]hex-2-ene
SMILESCC1(C)C2C(c3ccccc3)(c3ccccc3)N=NC21C
InChIInChI=1S/C19H20N2/c1-17(2)16-18(17,3)20-21-19(16,14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13,16H,1-3H3
InChIKeyDTAVNRPFJNKEOU-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.81
Rot. Bonds2

About 1,6,6-trimethyl-4,4-diphenyl-2,3-diazabicyclo[3.1.0]hex-2-ene

1,6,6-trimethyl-4,4-diphenyl-2,3-diazabicyclo[3.1.0]hex-2-ene (PubChem CID 3806423) has the molecular formula C19H20N2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1,6,6-trimethyl-4,4-diphenyl-2,3-diazabicyclo[3.1.0]hex-2-ene.

Molecular Properties

Compound Name1,6,6-trimethyl-4,4-diphenyl-2,3-diazabicyclo[3.1.0]hex-2-ene
PubChem CID3806423
Molecular FormulaC19H20N2
Molecular Weight276.38 g/mol
Exact Mass276.16
IUPAC Name1,6,6-trimethyl-4,4-diphenyl-2,3-diazabicyclo[3.1.0]hex-2-ene
SMILESCC1(C)C2C(c3ccccc3)(c3ccccc3)N=NC21C
InChIInChI=1S/C19H20N2/c1-17(2)16-18(17,3)20-21-19(16,14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13,16H,1-3H3
InChIKeyDTAVNRPFJNKEOU-UHFFFAOYSA-N
XLogP4.81
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,6,6-trimethyl-4,4-diphenyl-2,3-diazabicyclo[3.1.0]hex-2-ene?
The IUPAC name of 1,6,6-trimethyl-4,4-diphenyl-2,3-diazabicyclo[3.1.0]hex-2-ene (CID 3806423) is 1,6,6-trimethyl-4,4-diphenyl-2,3-diazabicyclo[3.1.0]hex-2-ene.
What is the SMILES notation for 1,6,6-trimethyl-4,4-diphenyl-2,3-diazabicyclo[3.1.0]hex-2-ene?
The canonical SMILES for 1,6,6-trimethyl-4,4-diphenyl-2,3-diazabicyclo[3.1.0]hex-2-ene is CC1(C)C2C(c3ccccc3)(c3ccccc3)N=NC21C.
What is the InChIKey of 1,6,6-trimethyl-4,4-diphenyl-2,3-diazabicyclo[3.1.0]hex-2-ene?
The InChIKey is DTAVNRPFJNKEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2/c1-17(2)16-18(17,3)20-21-19(16,14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13,16H,1-3H3.
What are the key properties of 1,6,6-trimethyl-4,4-diphenyl-2,3-diazabicyclo[3.1.0]hex-2-ene?
1,6,6-trimethyl-4,4-diphenyl-2,3-diazabicyclo[3.1.0]hex-2-ene has a molecular weight of 276.38 g/mol, XLogP of 4.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6,6-trimethyl-4,4-diphenyl-2,3-diazabicyclo[3.1.0]hex-2-ene is sourced from PubChem (CID 3806423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).