(1S,2R,6S,7R)-3,5-dibenzyl-3,5-diazatricyclo[5.2.1.02,6]dec-8-ene

C22H24N2 — CID 139065758

IUPAC(1S,2R,6S,7R)-3,5-dibenzyl-3,5-diazatricyclo[5.2.1.02,6]dec-8-ene
SMILESC1=C[C@H]2C[C@@H]1[C@@H]1[C@H]2N(Cc2ccccc2)CN1Cc1ccccc1
InChIInChI=1S/C22H24N2/c1-3-7-17(8-4-1)14-23-16-24(15-18-9-5-2-6-10-18)22-20-12-11-19(13-20)21(22)23/h1-12,19-22H,13-16H2/t19-,20+,21-,22+
InChIKeyUUVSEYRIZSHMSO-COPRSSIGSA-N
MW316.45 g/mol
LogP3.90
Rot. Bonds4

About (1S,2R,6S,7R)-3,5-dibenzyl-3,5-diazatricyclo[5.2.1.02,6]dec-8-ene

(1S,2R,6S,7R)-3,5-dibenzyl-3,5-diazatricyclo[5.2.1.02,6]dec-8-ene (PubChem CID 139065758) has the molecular formula C22H24N2 and a molecular weight of 316.45 g/mol. Its IUPAC name is (1S,2R,6S,7R)-3,5-dibenzyl-3,5-diazatricyclo[5.2.1.02,6]dec-8-ene.

Molecular Properties

Compound Name(1S,2R,6S,7R)-3,5-dibenzyl-3,5-diazatricyclo[5.2.1.02,6]dec-8-ene
PubChem CID139065758
Molecular FormulaC22H24N2
Molecular Weight316.45 g/mol
Exact Mass316.19
IUPAC Name(1S,2R,6S,7R)-3,5-dibenzyl-3,5-diazatricyclo[5.2.1.02,6]dec-8-ene
SMILESC1=C[C@H]2C[C@@H]1[C@@H]1[C@H]2N(Cc2ccccc2)CN1Cc1ccccc1
InChIInChI=1S/C22H24N2/c1-3-7-17(8-4-1)14-23-16-24(15-18-9-5-2-6-10-18)22-20-12-11-19(13-20)21(22)23/h1-12,19-22H,13-16H2/t19-,20+,21-,22+
InChIKeyUUVSEYRIZSHMSO-COPRSSIGSA-N
XLogP3.90
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-benzyl-4-azatricyclo[5.2.1.02,6]dec-8-ene
CID 15223361
(1S)-2-benzyl-3-methyl-2-azabicyclo[2.2.1]hept-5-ene
CID 118951753
(1S,4S)-2-benzyl-2-azabicyclo[2.2.1]hept-5-ene
CID 7018984
(4S)-1-benzyl-2,4-dimethylpyrrolidine
CID 118651465
(2S,4R)-1-benzyl-2,4-dimethylpyrrolidine
CID 15316822
(1S,4S)-2-benzyl-2,5-diazabicyclo[2.2.1]heptane;hydrobromide
CID 141204982
(1S,2S,6S,7R)-4-(2-phenylethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 6541210
1-benzyl-6-methylpiperidine-3,4-diol
CID 6421584
(2S,4S)-1-benzyl-4-chloro-2-methylpyrrolidine
CID 101162371
(2R,4S)-1-benzyl-4-chloro-2-methylpyrrolidine
CID 131036325
(3S,6S)-1-benzyl-6-methyl-3,6-dihydro-2H-pyridin-3-ol
CID 11469758
1-benzyl-3-chloro-2-methylpyrrolidine
CID 67849385

Frequently Asked Questions

What is the IUPAC name of (1S,2R,6S,7R)-3,5-dibenzyl-3,5-diazatricyclo[5.2.1.02,6]dec-8-ene?
The IUPAC name of (1S,2R,6S,7R)-3,5-dibenzyl-3,5-diazatricyclo[5.2.1.02,6]dec-8-ene (CID 139065758) is (1S,2R,6S,7R)-3,5-dibenzyl-3,5-diazatricyclo[5.2.1.02,6]dec-8-ene.
What is the SMILES notation for (1S,2R,6S,7R)-3,5-dibenzyl-3,5-diazatricyclo[5.2.1.02,6]dec-8-ene?
The canonical SMILES for (1S,2R,6S,7R)-3,5-dibenzyl-3,5-diazatricyclo[5.2.1.02,6]dec-8-ene is C1=C[C@H]2C[C@@H]1[C@@H]1[C@H]2N(Cc2ccccc2)CN1Cc1ccccc1.
What is the InChIKey of (1S,2R,6S,7R)-3,5-dibenzyl-3,5-diazatricyclo[5.2.1.02,6]dec-8-ene?
The InChIKey is UUVSEYRIZSHMSO-COPRSSIGSA-N. The full InChI is InChI=1S/C22H24N2/c1-3-7-17(8-4-1)14-23-16-24(15-18-9-5-2-6-10-18)22-20-12-11-19(13-20)21(22)23/h1-12,19-22H,13-16H2/t19-,20+,21-,22+.
What are the key properties of (1S,2R,6S,7R)-3,5-dibenzyl-3,5-diazatricyclo[5.2.1.02,6]dec-8-ene?
(1S,2R,6S,7R)-3,5-dibenzyl-3,5-diazatricyclo[5.2.1.02,6]dec-8-ene has a molecular weight of 316.45 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,6S,7R)-3,5-dibenzyl-3,5-diazatricyclo[5.2.1.02,6]dec-8-ene is sourced from PubChem (CID 139065758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).