8-ethyl-6-(3-fluoropropyl)-8-methyl-6,9-diazaspiro[4.5]decane

C14H27FN2 — CID 81114319

IUPAC8-ethyl-6-(3-fluoropropyl)-8-methyl-6,9-diazaspiro[4.5]decane
SMILESCCC1(C)CN(CCCF)C2(CCCC2)CN1
InChIInChI=1S/C14H27FN2/c1-3-13(2)12-17(10-6-9-15)14(11-16-13)7-4-5-8-14/h16H,3-12H2,1-2H3
InChIKeyPHGIBGXGQCUVKY-UHFFFAOYSA-N
MW242.38 g/mol
LogP2.73
Rot. Bonds4

About 8-ethyl-6-(3-fluoropropyl)-8-methyl-6,9-diazaspiro[4.5]decane

8-ethyl-6-(3-fluoropropyl)-8-methyl-6,9-diazaspiro[4.5]decane (PubChem CID 81114319) has the molecular formula C14H27FN2 and a molecular weight of 242.38 g/mol. Its IUPAC name is 8-ethyl-6-(3-fluoropropyl)-8-methyl-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-ethyl-6-(3-fluoropropyl)-8-methyl-6,9-diazaspiro[4.5]decane
PubChem CID81114319
Molecular FormulaC14H27FN2
Molecular Weight242.38 g/mol
Exact Mass242.22
IUPAC Name8-ethyl-6-(3-fluoropropyl)-8-methyl-6,9-diazaspiro[4.5]decane
SMILESCCC1(C)CN(CCCF)C2(CCCC2)CN1
InChIInChI=1S/C14H27FN2/c1-3-13(2)12-17(10-6-9-15)14(11-16-13)7-4-5-8-14/h16H,3-12H2,1-2H3
InChIKeyPHGIBGXGQCUVKY-UHFFFAOYSA-N
XLogP2.73
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-6-(3-fluoropropyl)-8-methyl-6,9-diazaspiro[4.5]decane?
The IUPAC name of 8-ethyl-6-(3-fluoropropyl)-8-methyl-6,9-diazaspiro[4.5]decane (CID 81114319) is 8-ethyl-6-(3-fluoropropyl)-8-methyl-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 8-ethyl-6-(3-fluoropropyl)-8-methyl-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 8-ethyl-6-(3-fluoropropyl)-8-methyl-6,9-diazaspiro[4.5]decane is CCC1(C)CN(CCCF)C2(CCCC2)CN1.
What is the InChIKey of 8-ethyl-6-(3-fluoropropyl)-8-methyl-6,9-diazaspiro[4.5]decane?
The InChIKey is PHGIBGXGQCUVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27FN2/c1-3-13(2)12-17(10-6-9-15)14(11-16-13)7-4-5-8-14/h16H,3-12H2,1-2H3.
What are the key properties of 8-ethyl-6-(3-fluoropropyl)-8-methyl-6,9-diazaspiro[4.5]decane?
8-ethyl-6-(3-fluoropropyl)-8-methyl-6,9-diazaspiro[4.5]decane has a molecular weight of 242.38 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-6-(3-fluoropropyl)-8-methyl-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 81114319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).