5,5-dimethylspiro[1,3-dioxane-2,7'-6,8,9,10-tetrahydro-5H-cycloocta[b]pyridine]-3'-amine

C16H24N2O2 — CID 59295549

IUPAC5,5-dimethylspiro[1,3-dioxane-2,7'-6,8,9,10-tetrahydro-5H-cycloocta[b]pyridine]-3'-amine
SMILESCC1(C)COC2(CCCc3ncc(N)cc3CC2)OC1
InChIInChI=1S/C16H24N2O2/c1-15(2)10-19-16(20-11-15)6-3-4-14-12(5-7-16)8-13(17)9-18-14/h8-9H,3-7,10-11,17H2,1-2H3
InChIKeyGCYVVMKWQZNRLL-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.70
Rot. Bonds

About 5,5-dimethylspiro[1,3-dioxane-2,7'-6,8,9,10-tetrahydro-5H-cycloocta[b]pyridine]-3'-amine

5,5-dimethylspiro[1,3-dioxane-2,7'-6,8,9,10-tetrahydro-5H-cycloocta[b]pyridine]-3'-amine (PubChem CID 59295549) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 5,5-dimethylspiro[1,3-dioxane-2,7'-6,8,9,10-tetrahydro-5H-cycloocta[b]pyridine]-3'-amine.

Molecular Properties

Compound Name5,5-dimethylspiro[1,3-dioxane-2,7'-6,8,9,10-tetrahydro-5H-cycloocta[b]pyridine]-3'-amine
PubChem CID59295549
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name5,5-dimethylspiro[1,3-dioxane-2,7'-6,8,9,10-tetrahydro-5H-cycloocta[b]pyridine]-3'-amine
SMILESCC1(C)COC2(CCCc3ncc(N)cc3CC2)OC1
InChIInChI=1S/C16H24N2O2/c1-15(2)10-19-16(20-11-15)6-3-4-14-12(5-7-16)8-13(17)9-18-14/h8-9H,3-7,10-11,17H2,1-2H3
InChIKeyGCYVVMKWQZNRLL-UHFFFAOYSA-N
XLogP2.70
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5,5-dimethylspiro[1,3-dioxane-2,7'-6,8,9,10-tetrahydro-5H-cycloocta[b]pyridine]-3'-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethylspiro[1,3-dioxane-2,7'-6,8,9,10-tetrahydro-5H-cycloocta[b]pyridine]-3'-amine?
The IUPAC name of 5,5-dimethylspiro[1,3-dioxane-2,7'-6,8,9,10-tetrahydro-5H-cycloocta[b]pyridine]-3'-amine (CID 59295549) is 5,5-dimethylspiro[1,3-dioxane-2,7'-6,8,9,10-tetrahydro-5H-cycloocta[b]pyridine]-3'-amine.
What is the SMILES notation for 5,5-dimethylspiro[1,3-dioxane-2,7'-6,8,9,10-tetrahydro-5H-cycloocta[b]pyridine]-3'-amine?
The canonical SMILES for 5,5-dimethylspiro[1,3-dioxane-2,7'-6,8,9,10-tetrahydro-5H-cycloocta[b]pyridine]-3'-amine is CC1(C)COC2(CCCc3ncc(N)cc3CC2)OC1.
What is the InChIKey of 5,5-dimethylspiro[1,3-dioxane-2,7'-6,8,9,10-tetrahydro-5H-cycloocta[b]pyridine]-3'-amine?
The InChIKey is GCYVVMKWQZNRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-15(2)10-19-16(20-11-15)6-3-4-14-12(5-7-16)8-13(17)9-18-14/h8-9H,3-7,10-11,17H2,1-2H3.
What are the key properties of 5,5-dimethylspiro[1,3-dioxane-2,7'-6,8,9,10-tetrahydro-5H-cycloocta[b]pyridine]-3'-amine?
5,5-dimethylspiro[1,3-dioxane-2,7'-6,8,9,10-tetrahydro-5H-cycloocta[b]pyridine]-3'-amine has a molecular weight of 276.38 g/mol, XLogP of 2.70, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethylspiro[1,3-dioxane-2,7'-6,8,9,10-tetrahydro-5H-cycloocta[b]pyridine]-3'-amine is sourced from PubChem (CID 59295549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).