(1R,13R)-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-ol

C14H19NO — CID 90679263

IUPAC(1R,13R)-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-ol
SMILESCN1CC[C@]2(C)c3ccccc3CC1[C@@H]2O
InChIInChI=1S/C14H19NO/c1-14-7-8-15(2)12(13(14)16)9-10-5-3-4-6-11(10)14/h3-6,12-13,16H,7-9H2,1-2H3/t12?,13-,14+/m0/s1
InChIKeyWUQBEBLBRRXOBM-KFTPUPIBSA-N
MW217.31 g/mol
LogP1.57
Rot. Bonds

About (1R,13R)-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-ol

(1R,13R)-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-ol (PubChem CID 90679263) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (1R,13R)-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-ol.

Molecular Properties

Compound Name(1R,13R)-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-ol
PubChem CID90679263
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(1R,13R)-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-ol
SMILESCN1CC[C@]2(C)c3ccccc3CC1[C@@H]2O
InChIInChI=1S/C14H19NO/c1-14-7-8-15(2)12(13(14)16)9-10-5-3-4-6-11(10)14/h3-6,12-13,16H,7-9H2,1-2H3/t12?,13-,14+/m0/s1
InChIKeyWUQBEBLBRRXOBM-KFTPUPIBSA-N
XLogP1.57
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,13R)-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-ol 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,13R)-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-ol?
The IUPAC name of (1R,13R)-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-ol (CID 90679263) is (1R,13R)-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-ol.
What is the SMILES notation for (1R,13R)-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-ol?
The canonical SMILES for (1R,13R)-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-ol is CN1CC[C@]2(C)c3ccccc3CC1[C@@H]2O.
What is the InChIKey of (1R,13R)-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-ol?
The InChIKey is WUQBEBLBRRXOBM-KFTPUPIBSA-N. The full InChI is InChI=1S/C14H19NO/c1-14-7-8-15(2)12(13(14)16)9-10-5-3-4-6-11(10)14/h3-6,12-13,16H,7-9H2,1-2H3/t12?,13-,14+/m0/s1.
What are the key properties of (1R,13R)-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-ol?
(1R,13R)-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-ol has a molecular weight of 217.31 g/mol, XLogP of 1.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,13R)-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-ol is sourced from PubChem (CID 90679263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).