3',5',7'-trimethylspiro[1,3-dioxane-2,2'-1-azatricyclo[3.3.1.13,7]decane]

C15H25NO2 — CID 23242323

IUPAC3',5',7'-trimethylspiro[1,3-dioxane-2,2'-1-azatricyclo[3.3.1.13,7]decane]
SMILESCC12CN3CC(C)(C1)CC(C)(C2)C31OCCCO1
InChIInChI=1S/C15H25NO2/c1-12-7-13(2)9-14(3,8-12)15(16(10-12)11-13)17-5-4-6-18-15/h4-11H2,1-3H3
InChIKeyCQGXFVFVLYYQED-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.61
Rot. Bonds

About 3',5',7'-trimethylspiro[1,3-dioxane-2,2'-1-azatricyclo[3.3.1.13,7]decane]

3',5',7'-trimethylspiro[1,3-dioxane-2,2'-1-azatricyclo[3.3.1.13,7]decane] (PubChem CID 23242323) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 3',5',7'-trimethylspiro[1,3-dioxane-2,2'-1-azatricyclo[3.3.1.13,7]decane].

Molecular Properties

Compound Name3',5',7'-trimethylspiro[1,3-dioxane-2,2'-1-azatricyclo[3.3.1.13,7]decane]
PubChem CID23242323
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name3',5',7'-trimethylspiro[1,3-dioxane-2,2'-1-azatricyclo[3.3.1.13,7]decane]
SMILESCC12CN3CC(C)(C1)CC(C)(C2)C31OCCCO1
InChIInChI=1S/C15H25NO2/c1-12-7-13(2)9-14(3,8-12)15(16(10-12)11-13)17-5-4-6-18-15/h4-11H2,1-3H3
InChIKeyCQGXFVFVLYYQED-UHFFFAOYSA-N
XLogP2.61
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3',5',7'-trimethylspiro[1,3-dioxane-2,2'-1-azatricyclo[3.3.1.13,7]decane] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3',5',7'-trimethylspiro[1,3-dioxane-2,2'-1-azatricyclo[3.3.1.13,7]decane]?
The IUPAC name of 3',5',7'-trimethylspiro[1,3-dioxane-2,2'-1-azatricyclo[3.3.1.13,7]decane] (CID 23242323) is 3',5',7'-trimethylspiro[1,3-dioxane-2,2'-1-azatricyclo[3.3.1.13,7]decane].
What is the SMILES notation for 3',5',7'-trimethylspiro[1,3-dioxane-2,2'-1-azatricyclo[3.3.1.13,7]decane]?
The canonical SMILES for 3',5',7'-trimethylspiro[1,3-dioxane-2,2'-1-azatricyclo[3.3.1.13,7]decane] is CC12CN3CC(C)(C1)CC(C)(C2)C31OCCCO1.
What is the InChIKey of 3',5',7'-trimethylspiro[1,3-dioxane-2,2'-1-azatricyclo[3.3.1.13,7]decane]?
The InChIKey is CQGXFVFVLYYQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-12-7-13(2)9-14(3,8-12)15(16(10-12)11-13)17-5-4-6-18-15/h4-11H2,1-3H3.
What are the key properties of 3',5',7'-trimethylspiro[1,3-dioxane-2,2'-1-azatricyclo[3.3.1.13,7]decane]?
3',5',7'-trimethylspiro[1,3-dioxane-2,2'-1-azatricyclo[3.3.1.13,7]decane] has a molecular weight of 251.37 g/mol, XLogP of 2.61, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3',5',7'-trimethylspiro[1,3-dioxane-2,2'-1-azatricyclo[3.3.1.13,7]decane] is sourced from PubChem (CID 23242323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).