(1R,9S,13S)-1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene;hydrobromide

C15H22BrN — CID 3048328

IUPAC(1R,9S,13S)-1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene;hydrobromide
SMILESBr.C[C@@H]1[C@@H]2Cc3ccccc3[C@]1(C)CCN2C
InChIInChI=1S/C15H21N.BrH/c1-11-14-10-12-6-4-5-7-13(12)15(11,2)8-9-16(14)3;/h4-7,11,14H,8-10H2,1-3H3;1H/t11-,14+,15-;/m1./s1
InChIKeyYMUQBPRSTIPGNF-IYPIUBNXSA-N
MW296.25 g/mol
LogP3.42
Rot. Bonds

About (1R,9S,13S)-1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene;hydrobromide

(1R,9S,13S)-1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene;hydrobromide (PubChem CID 3048328) has the molecular formula C15H22BrN and a molecular weight of 296.25 g/mol. Its IUPAC name is (1R,9S,13S)-1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene;hydrobromide.

Molecular Properties

Compound Name(1R,9S,13S)-1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene;hydrobromide
PubChem CID3048328
Molecular FormulaC15H22BrN
Molecular Weight296.25 g/mol
Exact Mass295.09
IUPAC Name(1R,9S,13S)-1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene;hydrobromide
SMILESBr.C[C@@H]1[C@@H]2Cc3ccccc3[C@]1(C)CCN2C
InChIInChI=1S/C15H21N.BrH/c1-11-14-10-12-6-4-5-7-13(12)15(11,2)8-9-16(14)3;/h4-7,11,14H,8-10H2,1-3H3;1H/t11-,14+,15-;/m1./s1
InChIKeyYMUQBPRSTIPGNF-IYPIUBNXSA-N
XLogP3.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1R,9S,13S)-1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene;hydrobromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,9S,13S)-1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene;hydrobromide?
The IUPAC name of (1R,9S,13S)-1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene;hydrobromide (CID 3048328) is (1R,9S,13S)-1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene;hydrobromide.
What is the SMILES notation for (1R,9S,13S)-1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene;hydrobromide?
The canonical SMILES for (1R,9S,13S)-1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene;hydrobromide is Br.C[C@@H]1[C@@H]2Cc3ccccc3[C@]1(C)CCN2C.
What is the InChIKey of (1R,9S,13S)-1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene;hydrobromide?
The InChIKey is YMUQBPRSTIPGNF-IYPIUBNXSA-N. The full InChI is InChI=1S/C15H21N.BrH/c1-11-14-10-12-6-4-5-7-13(12)15(11,2)8-9-16(14)3;/h4-7,11,14H,8-10H2,1-3H3;1H/t11-,14+,15-;/m1./s1.
What are the key properties of (1R,9S,13S)-1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene;hydrobromide?
(1R,9S,13S)-1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene;hydrobromide has a molecular weight of 296.25 g/mol, XLogP of 3.42, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9S,13S)-1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene;hydrobromide is sourced from PubChem (CID 3048328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).