(1R,3R,4R,5R,7R,8R)-2-ethyl-2-azatricyclo[3.3.1.13,7]decane-4,8-diol

C11H19NO2 — CID 130760663

IUPAC(1R,3R,4R,5R,7R,8R)-2-ethyl-2-azatricyclo[3.3.1.13,7]decane-4,8-diol
SMILESCCN1[C@@H]2C[C@H]3C[C@H](C[C@@H]1[C@@H]3O)[C@H]2O
InChIInChI=1S/C11H19NO2/c1-2-12-8-4-6-3-7(11(8)14)5-9(12)10(6)13/h6-11,13-14H,2-5H2,1H3/t6-,7-,8-,9-,10-,11-/m1/s1
InChIKeySTXHKOBXWXLMQW-VRGHXPGPSA-N
MW197.28 g/mol
LogP0.21
Rot. Bonds1

About (1R,3R,4R,5R,7R,8R)-2-ethyl-2-azatricyclo[3.3.1.13,7]decane-4,8-diol

(1R,3R,4R,5R,7R,8R)-2-ethyl-2-azatricyclo[3.3.1.13,7]decane-4,8-diol (PubChem CID 130760663) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is (1R,3R,4R,5R,7R,8R)-2-ethyl-2-azatricyclo[3.3.1.13,7]decane-4,8-diol.

Molecular Properties

Compound Name(1R,3R,4R,5R,7R,8R)-2-ethyl-2-azatricyclo[3.3.1.13,7]decane-4,8-diol
PubChem CID130760663
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name(1R,3R,4R,5R,7R,8R)-2-ethyl-2-azatricyclo[3.3.1.13,7]decane-4,8-diol
SMILESCCN1[C@@H]2C[C@H]3C[C@H](C[C@@H]1[C@@H]3O)[C@H]2O
InChIInChI=1S/C11H19NO2/c1-2-12-8-4-6-3-7(11(8)14)5-9(12)10(6)13/h6-11,13-14H,2-5H2,1H3/t6-,7-,8-,9-,10-,11-/m1/s1
InChIKeySTXHKOBXWXLMQW-VRGHXPGPSA-N
XLogP0.21
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1R,3R,4R,5R,7R,8R)-2-ethyl-2-azatricyclo[3.3.1.13,7]decane-4,8-diol with MolForge

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

Launch Full Analysis

Related Compounds

6-ethyl-6-azabicyclo[3.1.1]heptan-3-ol
CID 169176947
3-ethyl-3-azabicyclo[3.1.0]hexane
CID 69176949
tricyclo[4.3.1.13,8]undecane-2,7-diol
CID 12673622
[3-(aminomethyl)-7-ethyl-7-azabicyclo[2.2.1]heptan-2-yl]methanamine
CID 121275098
9-ethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole;hydron
CID 118038228
1-ethyl-5-methylpyrrolidin-2-ol
CID 89131864
(3R,5S)-1-ethylpiperidine-3,5-diol
CID 96570686
2-ethyl-3-methyl-2-azabicyclo[2.2.1]heptane
CID 90937023
(1R,5S)-3-ethyl-7-methyl-3,7-diazabicyclo[3.3.1]nonan-9-ol
CID 15758755
1-ethyl-2,6-dimethylpiperidin-4-amine
CID 54320908
(1R,5S)-8-ethyl-3-methyl-8-azabicyclo[3.2.1]octane
CID 121337296
ethane;1-ethyl-2,6-dimethylpiperazine
CID 170737878

Frequently Asked Questions

What is the IUPAC name of (1R,3R,4R,5R,7R,8R)-2-ethyl-2-azatricyclo[3.3.1.13,7]decane-4,8-diol?
The IUPAC name of (1R,3R,4R,5R,7R,8R)-2-ethyl-2-azatricyclo[3.3.1.13,7]decane-4,8-diol (CID 130760663) is (1R,3R,4R,5R,7R,8R)-2-ethyl-2-azatricyclo[3.3.1.13,7]decane-4,8-diol.
What is the SMILES notation for (1R,3R,4R,5R,7R,8R)-2-ethyl-2-azatricyclo[3.3.1.13,7]decane-4,8-diol?
The canonical SMILES for (1R,3R,4R,5R,7R,8R)-2-ethyl-2-azatricyclo[3.3.1.13,7]decane-4,8-diol is CCN1[C@@H]2C[C@H]3C[C@H](C[C@@H]1[C@@H]3O)[C@H]2O.
What is the InChIKey of (1R,3R,4R,5R,7R,8R)-2-ethyl-2-azatricyclo[3.3.1.13,7]decane-4,8-diol?
The InChIKey is STXHKOBXWXLMQW-VRGHXPGPSA-N. The full InChI is InChI=1S/C11H19NO2/c1-2-12-8-4-6-3-7(11(8)14)5-9(12)10(6)13/h6-11,13-14H,2-5H2,1H3/t6-,7-,8-,9-,10-,11-/m1/s1.
What are the key properties of (1R,3R,4R,5R,7R,8R)-2-ethyl-2-azatricyclo[3.3.1.13,7]decane-4,8-diol?
(1R,3R,4R,5R,7R,8R)-2-ethyl-2-azatricyclo[3.3.1.13,7]decane-4,8-diol has a molecular weight of 197.28 g/mol, XLogP of 0.21, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,4R,5R,7R,8R)-2-ethyl-2-azatricyclo[3.3.1.13,7]decane-4,8-diol is sourced from PubChem (CID 130760663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).