5-bromo-N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,4-dimethylpyridin-2-amine

C15H21BrN2O2 — CID 114869040

IUPAC5-bromo-N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,4-dimethylpyridin-2-amine
SMILESCc1cc(N(C)C2CCC3(CC2)OCCO3)ncc1Br
InChIInChI=1S/C15H21BrN2O2/c1-11-9-14(17-10-13(11)16)18(2)12-3-5-15(6-4-12)19-7-8-20-15/h9-10,12H,3-8H2,1-2H3
InChIKeyCFQYKDIQUMPFFZ-UHFFFAOYSA-N
MW341.25 g/mol
LogP3.27
Rot. Bonds2

About 5-bromo-N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,4-dimethylpyridin-2-amine

5-bromo-N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,4-dimethylpyridin-2-amine (PubChem CID 114869040) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 5-bromo-N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,4-dimethylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,4-dimethylpyridin-2-amine
PubChem CID114869040
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name5-bromo-N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,4-dimethylpyridin-2-amine
SMILESCc1cc(N(C)C2CCC3(CC2)OCCO3)ncc1Br
InChIInChI=1S/C15H21BrN2O2/c1-11-9-14(17-10-13(11)16)18(2)12-3-5-15(6-4-12)19-7-8-20-15/h9-10,12H,3-8H2,1-2H3
InChIKeyCFQYKDIQUMPFFZ-UHFFFAOYSA-N
XLogP3.27
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,4-dimethylpyridin-2-amine?
The IUPAC name of 5-bromo-N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,4-dimethylpyridin-2-amine (CID 114869040) is 5-bromo-N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,4-dimethylpyridin-2-amine.
What is the SMILES notation for 5-bromo-N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,4-dimethylpyridin-2-amine?
The canonical SMILES for 5-bromo-N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,4-dimethylpyridin-2-amine is Cc1cc(N(C)C2CCC3(CC2)OCCO3)ncc1Br.
What is the InChIKey of 5-bromo-N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,4-dimethylpyridin-2-amine?
The InChIKey is CFQYKDIQUMPFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-11-9-14(17-10-13(11)16)18(2)12-3-5-15(6-4-12)19-7-8-20-15/h9-10,12H,3-8H2,1-2H3.
What are the key properties of 5-bromo-N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,4-dimethylpyridin-2-amine?
5-bromo-N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,4-dimethylpyridin-2-amine has a molecular weight of 341.25 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,4-dimethylpyridin-2-amine is sourced from PubChem (CID 114869040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).