(1R,4S)-1,7,7-trimethyl-2-N,3-N-diphenylbicyclo[2.2.1]heptane-2,3-diimine

C22H24N2 — CID 11273162

IUPAC(1R,4S)-1,7,7-trimethyl-2-N,3-N-diphenylbicyclo[2.2.1]heptane-2,3-diimine
SMILESCC1(C)[C@@H]2CC[C@@]1(C)C(=N/c1ccccc1)/C2=N/c1ccccc1
InChIInChI=1S/C22H24N2/c1-21(2)18-14-15-22(21,3)20(24-17-12-8-5-9-13-17)19(18)23-16-10-6-4-7-11-16/h4-13,18H,14-15H2,1-3H3/b23-19+,24-20+/t18-,22+/m1/s1
InChIKeyXRLIHGLJJCNLGF-IFKFOUBDSA-N
MW316.45 g/mol
LogP5.99
Rot. Bonds2

About (1R,4S)-1,7,7-trimethyl-2-N,3-N-diphenylbicyclo[2.2.1]heptane-2,3-diimine

(1R,4S)-1,7,7-trimethyl-2-N,3-N-diphenylbicyclo[2.2.1]heptane-2,3-diimine (PubChem CID 11273162) has the molecular formula C22H24N2 and a molecular weight of 316.45 g/mol. Its IUPAC name is (1R,4S)-1,7,7-trimethyl-2-N,3-N-diphenylbicyclo[2.2.1]heptane-2,3-diimine.

Molecular Properties

Compound Name(1R,4S)-1,7,7-trimethyl-2-N,3-N-diphenylbicyclo[2.2.1]heptane-2,3-diimine
PubChem CID11273162
Molecular FormulaC22H24N2
Molecular Weight316.45 g/mol
Exact Mass316.19
IUPAC Name(1R,4S)-1,7,7-trimethyl-2-N,3-N-diphenylbicyclo[2.2.1]heptane-2,3-diimine
SMILESCC1(C)[C@@H]2CC[C@@]1(C)C(=N/c1ccccc1)/C2=N/c1ccccc1
InChIInChI=1S/C22H24N2/c1-21(2)18-14-15-22(21,3)20(24-17-12-8-5-9-13-17)19(18)23-16-10-6-4-7-11-16/h4-13,18H,14-15H2,1-3H3/b23-19+,24-20+/t18-,22+/m1/s1
InChIKeyXRLIHGLJJCNLGF-IFKFOUBDSA-N
XLogP5.99
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.45
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,4S)-1,7,7-trimethyl-2-N,3-N-diphenylbicyclo[2.2.1]heptane-2,3-diimine?
The IUPAC name of (1R,4S)-1,7,7-trimethyl-2-N,3-N-diphenylbicyclo[2.2.1]heptane-2,3-diimine (CID 11273162) is (1R,4S)-1,7,7-trimethyl-2-N,3-N-diphenylbicyclo[2.2.1]heptane-2,3-diimine.
What is the SMILES notation for (1R,4S)-1,7,7-trimethyl-2-N,3-N-diphenylbicyclo[2.2.1]heptane-2,3-diimine?
The canonical SMILES for (1R,4S)-1,7,7-trimethyl-2-N,3-N-diphenylbicyclo[2.2.1]heptane-2,3-diimine is CC1(C)[C@@H]2CC[C@@]1(C)C(=N/c1ccccc1)/C2=N/c1ccccc1.
What is the InChIKey of (1R,4S)-1,7,7-trimethyl-2-N,3-N-diphenylbicyclo[2.2.1]heptane-2,3-diimine?
The InChIKey is XRLIHGLJJCNLGF-IFKFOUBDSA-N. The full InChI is InChI=1S/C22H24N2/c1-21(2)18-14-15-22(21,3)20(24-17-12-8-5-9-13-17)19(18)23-16-10-6-4-7-11-16/h4-13,18H,14-15H2,1-3H3/b23-19+,24-20+/t18-,22+/m1/s1.
What are the key properties of (1R,4S)-1,7,7-trimethyl-2-N,3-N-diphenylbicyclo[2.2.1]heptane-2,3-diimine?
(1R,4S)-1,7,7-trimethyl-2-N,3-N-diphenylbicyclo[2.2.1]heptane-2,3-diimine has a molecular weight of 316.45 g/mol, XLogP of 5.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-1,7,7-trimethyl-2-N,3-N-diphenylbicyclo[2.2.1]heptane-2,3-diimine is sourced from PubChem (CID 11273162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).