3,5,7-trimethyl-1-azatricyclo[3.3.1.13,7]decane-4,6,10-triol

C12H21NO3 — CID 2310985

IUPAC3,5,7-trimethyl-1-azatricyclo[3.3.1.13,7]decane-4,6,10-triol
SMILESCC12CN3CC(C)(C1O)C(O)C(C)(C3)C2O
InChIInChI=1S/C12H21NO3/c1-10-4-13-5-11(2,7(10)14)9(16)12(3,6-13)8(10)15/h7-9,14-16H,4-6H2,1-3H3
InChIKeyICFNNPCJEXGFBG-UHFFFAOYSA-N
MW227.30 g/mol
LogP-0.57
Rot. Bonds

About 3,5,7-trimethyl-1-azatricyclo[3.3.1.13,7]decane-4,6,10-triol

3,5,7-trimethyl-1-azatricyclo[3.3.1.13,7]decane-4,6,10-triol (PubChem CID 2310985) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 3,5,7-trimethyl-1-azatricyclo[3.3.1.13,7]decane-4,6,10-triol.

Molecular Properties

Compound Name3,5,7-trimethyl-1-azatricyclo[3.3.1.13,7]decane-4,6,10-triol
PubChem CID2310985
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name3,5,7-trimethyl-1-azatricyclo[3.3.1.13,7]decane-4,6,10-triol
SMILESCC12CN3CC(C)(C1O)C(O)C(C)(C3)C2O
InChIInChI=1S/C12H21NO3/c1-10-4-13-5-11(2,7(10)14)9(16)12(3,6-13)8(10)15/h7-9,14-16H,4-6H2,1-3H3
InChIKeyICFNNPCJEXGFBG-UHFFFAOYSA-N
XLogP-0.57
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5,7-trimethyl-1-azatricyclo[3.3.1.13,7]decane-4,6,10-triol?
The IUPAC name of 3,5,7-trimethyl-1-azatricyclo[3.3.1.13,7]decane-4,6,10-triol (CID 2310985) is 3,5,7-trimethyl-1-azatricyclo[3.3.1.13,7]decane-4,6,10-triol.
What is the SMILES notation for 3,5,7-trimethyl-1-azatricyclo[3.3.1.13,7]decane-4,6,10-triol?
The canonical SMILES for 3,5,7-trimethyl-1-azatricyclo[3.3.1.13,7]decane-4,6,10-triol is CC12CN3CC(C)(C1O)C(O)C(C)(C3)C2O.
What is the InChIKey of 3,5,7-trimethyl-1-azatricyclo[3.3.1.13,7]decane-4,6,10-triol?
The InChIKey is ICFNNPCJEXGFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-10-4-13-5-11(2,7(10)14)9(16)12(3,6-13)8(10)15/h7-9,14-16H,4-6H2,1-3H3.
What are the key properties of 3,5,7-trimethyl-1-azatricyclo[3.3.1.13,7]decane-4,6,10-triol?
3,5,7-trimethyl-1-azatricyclo[3.3.1.13,7]decane-4,6,10-triol has a molecular weight of 227.30 g/mol, XLogP of -0.57, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,7-trimethyl-1-azatricyclo[3.3.1.13,7]decane-4,6,10-triol is sourced from PubChem (CID 2310985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).