(1R,9R,13R)-10-benzyl-13-methyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene

C20H23N — CID 10333740

IUPAC(1R,9R,13R)-10-benzyl-13-methyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene
SMILESC[C@H]1[C@H]2Cc3ccccc3[C@@H]1CCN2Cc1ccccc1
InChIInChI=1S/C20H23N/c1-15-18-11-12-21(14-16-7-3-2-4-8-16)20(15)13-17-9-5-6-10-19(17)18/h2-10,15,18,20H,11-14H2,1H3/t15-,18-,20-/m1/s1
InChIKeyMOUPZSHFYULSRO-XFQXTVEOSA-N
MW277.41 g/mol
LogP4.24
Rot. Bonds2

About (1R,9R,13R)-10-benzyl-13-methyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene

(1R,9R,13R)-10-benzyl-13-methyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene (PubChem CID 10333740) has the molecular formula C20H23N and a molecular weight of 277.41 g/mol. Its IUPAC name is (1R,9R,13R)-10-benzyl-13-methyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene.

Molecular Properties

Compound Name(1R,9R,13R)-10-benzyl-13-methyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene
PubChem CID10333740
Molecular FormulaC20H23N
Molecular Weight277.41 g/mol
Exact Mass277.18
IUPAC Name(1R,9R,13R)-10-benzyl-13-methyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene
SMILESC[C@H]1[C@H]2Cc3ccccc3[C@@H]1CCN2Cc1ccccc1
InChIInChI=1S/C20H23N/c1-15-18-11-12-21(14-16-7-3-2-4-8-16)20(15)13-17-9-5-6-10-19(17)18/h2-10,15,18,20H,11-14H2,1H3/t15-,18-,20-/m1/s1
InChIKeyMOUPZSHFYULSRO-XFQXTVEOSA-N
XLogP4.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,9R,13R)-10-benzyl-13-methyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene?
The IUPAC name of (1R,9R,13R)-10-benzyl-13-methyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene (CID 10333740) is (1R,9R,13R)-10-benzyl-13-methyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene.
What is the SMILES notation for (1R,9R,13R)-10-benzyl-13-methyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene?
The canonical SMILES for (1R,9R,13R)-10-benzyl-13-methyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene is C[C@H]1[C@H]2Cc3ccccc3[C@@H]1CCN2Cc1ccccc1.
What is the InChIKey of (1R,9R,13R)-10-benzyl-13-methyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene?
The InChIKey is MOUPZSHFYULSRO-XFQXTVEOSA-N. The full InChI is InChI=1S/C20H23N/c1-15-18-11-12-21(14-16-7-3-2-4-8-16)20(15)13-17-9-5-6-10-19(17)18/h2-10,15,18,20H,11-14H2,1H3/t15-,18-,20-/m1/s1.
What are the key properties of (1R,9R,13R)-10-benzyl-13-methyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene?
(1R,9R,13R)-10-benzyl-13-methyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene has a molecular weight of 277.41 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9R,13R)-10-benzyl-13-methyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene is sourced from PubChem (CID 10333740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).