(1R,5R,6R)-4,4,6-trimethyl-1,5-diphenyl-2,3-diazabicyclo[3.1.0]hex-2-ene

C19H20N2 — CID 165343203

IUPAC(1R,5R,6R)-4,4,6-trimethyl-1,5-diphenyl-2,3-diazabicyclo[3.1.0]hex-2-ene
SMILESC[C@@H]1[C@@]2(c3ccccc3)C(C)(C)N=N[C@@]12c1ccccc1
InChIInChI=1S/C19H20N2/c1-14-18(15-10-6-4-7-11-15)17(2,3)20-21-19(14,18)16-12-8-5-9-13-16/h4-14H,1-3H3/t14-,18-,19-/m1/s1
InChIKeyNFUQBWCYIAYGAA-NIKGAXFTSA-N
MW276.38 g/mol
LogP4.71
Rot. Bonds2

About (1R,5R,6R)-4,4,6-trimethyl-1,5-diphenyl-2,3-diazabicyclo[3.1.0]hex-2-ene

(1R,5R,6R)-4,4,6-trimethyl-1,5-diphenyl-2,3-diazabicyclo[3.1.0]hex-2-ene (PubChem CID 165343203) has the molecular formula C19H20N2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (1R,5R,6R)-4,4,6-trimethyl-1,5-diphenyl-2,3-diazabicyclo[3.1.0]hex-2-ene.

Molecular Properties

Compound Name(1R,5R,6R)-4,4,6-trimethyl-1,5-diphenyl-2,3-diazabicyclo[3.1.0]hex-2-ene
PubChem CID165343203
Molecular FormulaC19H20N2
Molecular Weight276.38 g/mol
Exact Mass276.16
IUPAC Name(1R,5R,6R)-4,4,6-trimethyl-1,5-diphenyl-2,3-diazabicyclo[3.1.0]hex-2-ene
SMILESC[C@@H]1[C@@]2(c3ccccc3)C(C)(C)N=N[C@@]12c1ccccc1
InChIInChI=1S/C19H20N2/c1-14-18(15-10-6-4-7-11-15)17(2,3)20-21-19(14,18)16-12-8-5-9-13-16/h4-14H,1-3H3/t14-,18-,19-/m1/s1
InChIKeyNFUQBWCYIAYGAA-NIKGAXFTSA-N
XLogP4.71
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 ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,5R,6R)-4,4,6-trimethyl-1,5-diphenyl-2,3-diazabicyclo[3.1.0]hex-2-ene?
The IUPAC name of (1R,5R,6R)-4,4,6-trimethyl-1,5-diphenyl-2,3-diazabicyclo[3.1.0]hex-2-ene (CID 165343203) is (1R,5R,6R)-4,4,6-trimethyl-1,5-diphenyl-2,3-diazabicyclo[3.1.0]hex-2-ene.
What is the SMILES notation for (1R,5R,6R)-4,4,6-trimethyl-1,5-diphenyl-2,3-diazabicyclo[3.1.0]hex-2-ene?
The canonical SMILES for (1R,5R,6R)-4,4,6-trimethyl-1,5-diphenyl-2,3-diazabicyclo[3.1.0]hex-2-ene is C[C@@H]1[C@@]2(c3ccccc3)C(C)(C)N=N[C@@]12c1ccccc1.
What is the InChIKey of (1R,5R,6R)-4,4,6-trimethyl-1,5-diphenyl-2,3-diazabicyclo[3.1.0]hex-2-ene?
The InChIKey is NFUQBWCYIAYGAA-NIKGAXFTSA-N. The full InChI is InChI=1S/C19H20N2/c1-14-18(15-10-6-4-7-11-15)17(2,3)20-21-19(14,18)16-12-8-5-9-13-16/h4-14H,1-3H3/t14-,18-,19-/m1/s1.
What are the key properties of (1R,5R,6R)-4,4,6-trimethyl-1,5-diphenyl-2,3-diazabicyclo[3.1.0]hex-2-ene?
(1R,5R,6R)-4,4,6-trimethyl-1,5-diphenyl-2,3-diazabicyclo[3.1.0]hex-2-ene has a molecular weight of 276.38 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R,6R)-4,4,6-trimethyl-1,5-diphenyl-2,3-diazabicyclo[3.1.0]hex-2-ene is sourced from PubChem (CID 165343203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).