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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Related Compounds

8-ethyl-6-[3-(2-methoxyethoxy)propyl]-8-methyl-6,9-diazaspiro[4.5]decane
CID 103414307
3-ethyl-3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]-1,4-diazaspiro[5.5]undecane
CID 116627505
8-ethyl-6,8-dimethyl-6,9-diazaspiro[4.5]decane
CID 64875613
2-cyclopropyl-5-ethyl-1-(3-fluoropropyl)-2,5-dimethylpiperazine
CID 81114433
8-ethyl-6-[2-(2-methoxyethoxy)ethyl]-8-methyl-6,9-diazaspiro[4.5]decane
CID 64878493
3-ethyl-3-methyl-1-[(2-methyltetrazol-5-yl)methyl]-1,4-diazaspiro[5.5]undecane
CID 107055869
8,8-dimethyl-6-propyl-6,9-diazaspiro[4.5]decane
CID 64840920
8-ethyl-6-(3-fluoropropyl)-6,9-diazaspiro[4.5]decane
CID 81114428
3-ethyl-3-methyl-1-[(1-methyltriazol-4-yl)methyl]-1,4-diazaspiro[5.5]undecane
CID 107055867
1-butyl-2,5-diethyl-2,5-dimethylpiperazine
CID 64849689
15-(2-fluoroethyl)-7,15-diazadispiro[4.2.58.25]pentadecane
CID 80696436
3,3-dimethyl-1-(4-methylpentyl)-1,4-diazaspiro[5.5]undecane
CID 83168130

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).