(1R)-10-ethyl-1,12-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol

C16H23NO — CID 70822650

IUPAC(1R)-10-ethyl-1,12-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
SMILESCCN1CC(C)[C@@]2(C)CC1Cc1ccc(O)cc12
InChIInChI=1S/C16H23NO/c1-4-17-10-11(2)16(3)9-13(17)7-12-5-6-14(18)8-15(12)16/h5-6,8,11,13,18H,4,7,9-10H2,1-3H3/t11?,13?,16-/m1/s1
InChIKeyMURFMUKZAMWTAJ-IJGSQOGDSA-N
MW245.37 g/mol
LogP2.94
Rot. Bonds1

About (1R)-10-ethyl-1,12-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol

(1R)-10-ethyl-1,12-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol (PubChem CID 70822650) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is (1R)-10-ethyl-1,12-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol.

Molecular Properties

Compound Name(1R)-10-ethyl-1,12-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
PubChem CID70822650
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name(1R)-10-ethyl-1,12-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
SMILESCCN1CC(C)[C@@]2(C)CC1Cc1ccc(O)cc12
InChIInChI=1S/C16H23NO/c1-4-17-10-11(2)16(3)9-13(17)7-12-5-6-14(18)8-15(12)16/h5-6,8,11,13,18H,4,7,9-10H2,1-3H3/t11?,13?,16-/m1/s1
InChIKeyMURFMUKZAMWTAJ-IJGSQOGDSA-N
XLogP2.94
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R)-10-ethyl-1,12-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-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)-10-ethyl-1,12-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol?
The IUPAC name of (1R)-10-ethyl-1,12-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol (CID 70822650) is (1R)-10-ethyl-1,12-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol.
What is the SMILES notation for (1R)-10-ethyl-1,12-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol?
The canonical SMILES for (1R)-10-ethyl-1,12-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol is CCN1CC(C)[C@@]2(C)CC1Cc1ccc(O)cc12.
What is the InChIKey of (1R)-10-ethyl-1,12-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol?
The InChIKey is MURFMUKZAMWTAJ-IJGSQOGDSA-N. The full InChI is InChI=1S/C16H23NO/c1-4-17-10-11(2)16(3)9-13(17)7-12-5-6-14(18)8-15(12)16/h5-6,8,11,13,18H,4,7,9-10H2,1-3H3/t11?,13?,16-/m1/s1.
What are the key properties of (1R)-10-ethyl-1,12-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol?
(1R)-10-ethyl-1,12-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol has a molecular weight of 245.37 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-10-ethyl-1,12-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol is sourced from PubChem (CID 70822650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).