(3S,6R,8R,10S,13R)-13-ethyl-2,2,6-trimethyl-9-oxa-1-azatricyclo[8.4.0.03,8]tetradecane

C17H31NO — CID 101079391

IUPAC(3S,6R,8R,10S,13R)-13-ethyl-2,2,6-trimethyl-9-oxa-1-azatricyclo[8.4.0.03,8]tetradecane
SMILESCC[C@@H]1CC[C@@H]2O[C@@H]3C[C@H](C)CC[C@H]3C(C)(C)N2C1
InChIInChI=1S/C17H31NO/c1-5-13-7-9-16-18(11-13)17(3,4)14-8-6-12(2)10-15(14)19-16/h12-16H,5-11H2,1-4H3/t12-,13-,14-,15-,16+/m1/s1
InChIKeyUGZJVGCCFLONAZ-QCODTGAPSA-N
MW265.44 g/mol
LogP4.05
Rot. Bonds1

About (3S,6R,8R,10S,13R)-13-ethyl-2,2,6-trimethyl-9-oxa-1-azatricyclo[8.4.0.03,8]tetradecane

(3S,6R,8R,10S,13R)-13-ethyl-2,2,6-trimethyl-9-oxa-1-azatricyclo[8.4.0.03,8]tetradecane (PubChem CID 101079391) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is (3S,6R,8R,10S,13R)-13-ethyl-2,2,6-trimethyl-9-oxa-1-azatricyclo[8.4.0.03,8]tetradecane.

Molecular Properties

Compound Name(3S,6R,8R,10S,13R)-13-ethyl-2,2,6-trimethyl-9-oxa-1-azatricyclo[8.4.0.03,8]tetradecane
PubChem CID101079391
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name(3S,6R,8R,10S,13R)-13-ethyl-2,2,6-trimethyl-9-oxa-1-azatricyclo[8.4.0.03,8]tetradecane
SMILESCC[C@@H]1CC[C@@H]2O[C@@H]3C[C@H](C)CC[C@H]3C(C)(C)N2C1
InChIInChI=1S/C17H31NO/c1-5-13-7-9-16-18(11-13)17(3,4)14-8-6-12(2)10-15(14)19-16/h12-16H,5-11H2,1-4H3/t12-,13-,14-,15-,16+/m1/s1
InChIKeyUGZJVGCCFLONAZ-QCODTGAPSA-N
XLogP4.05
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3S,6R,8R,10S,13R)-13-ethyl-2,2,6-trimethyl-9-oxa-1-azatricyclo[8.4.0.03,8]tetradecane 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 (3S,6R,8R,10S,13R)-13-ethyl-2,2,6-trimethyl-9-oxa-1-azatricyclo[8.4.0.03,8]tetradecane?
The IUPAC name of (3S,6R,8R,10S,13R)-13-ethyl-2,2,6-trimethyl-9-oxa-1-azatricyclo[8.4.0.03,8]tetradecane (CID 101079391) is (3S,6R,8R,10S,13R)-13-ethyl-2,2,6-trimethyl-9-oxa-1-azatricyclo[8.4.0.03,8]tetradecane.
What is the SMILES notation for (3S,6R,8R,10S,13R)-13-ethyl-2,2,6-trimethyl-9-oxa-1-azatricyclo[8.4.0.03,8]tetradecane?
The canonical SMILES for (3S,6R,8R,10S,13R)-13-ethyl-2,2,6-trimethyl-9-oxa-1-azatricyclo[8.4.0.03,8]tetradecane is CC[C@@H]1CC[C@@H]2O[C@@H]3C[C@H](C)CC[C@H]3C(C)(C)N2C1.
What is the InChIKey of (3S,6R,8R,10S,13R)-13-ethyl-2,2,6-trimethyl-9-oxa-1-azatricyclo[8.4.0.03,8]tetradecane?
The InChIKey is UGZJVGCCFLONAZ-QCODTGAPSA-N. The full InChI is InChI=1S/C17H31NO/c1-5-13-7-9-16-18(11-13)17(3,4)14-8-6-12(2)10-15(14)19-16/h12-16H,5-11H2,1-4H3/t12-,13-,14-,15-,16+/m1/s1.
What are the key properties of (3S,6R,8R,10S,13R)-13-ethyl-2,2,6-trimethyl-9-oxa-1-azatricyclo[8.4.0.03,8]tetradecane?
(3S,6R,8R,10S,13R)-13-ethyl-2,2,6-trimethyl-9-oxa-1-azatricyclo[8.4.0.03,8]tetradecane has a molecular weight of 265.44 g/mol, XLogP of 4.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6R,8R,10S,13R)-13-ethyl-2,2,6-trimethyl-9-oxa-1-azatricyclo[8.4.0.03,8]tetradecane is sourced from PubChem (CID 101079391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).