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

C13H25FN2 — CID 81114428

IUPAC8-ethyl-6-(3-fluoropropyl)-6,9-diazaspiro[4.5]decane
SMILESCCC1CN(CCCF)C2(CCCC2)CN1
InChIInChI=1S/C13H25FN2/c1-2-12-10-16(9-5-8-14)13(11-15-12)6-3-4-7-13/h12,15H,2-11H2,1H3
InChIKeyWDQBXKRPSNZLPX-UHFFFAOYSA-N
MW228.35 g/mol
LogP2.34
Rot. Bonds4

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

8-ethyl-6-(3-fluoropropyl)-6,9-diazaspiro[4.5]decane (PubChem CID 81114428) has the molecular formula C13H25FN2 and a molecular weight of 228.35 g/mol. Its IUPAC name is 8-ethyl-6-(3-fluoropropyl)-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-ethyl-6-(3-fluoropropyl)-6,9-diazaspiro[4.5]decane
PubChem CID81114428
Molecular FormulaC13H25FN2
Molecular Weight228.35 g/mol
Exact Mass228.20
IUPAC Name8-ethyl-6-(3-fluoropropyl)-6,9-diazaspiro[4.5]decane
SMILESCCC1CN(CCCF)C2(CCCC2)CN1
InChIInChI=1S/C13H25FN2/c1-2-12-10-16(9-5-8-14)13(11-15-12)6-3-4-7-13/h12,15H,2-11H2,1H3
InChIKeyWDQBXKRPSNZLPX-UHFFFAOYSA-N
XLogP2.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1-(2-fluoroethyl)-1,4-diazaspiro[5.5]undecane
CID 80697421
3-ethyl-1-octyl-1,4-diazaspiro[5.5]undecane
CID 64843543
8-ethyl-6-(3-ethylsulfonylpropyl)-6,9-diazaspiro[4.5]decane
CID 65097005
1-(2-fluoroethyl)-3-propyl-1,4-diazaspiro[5.5]undecane
CID 80698291
6-butyl-8-propyl-6,9-diazaspiro[4.5]decane
CID 64838046
3-ethyl-1-[2-(2-methoxyethoxy)ethyl]-1,4-diazaspiro[5.5]undecane
CID 64842964
8-ethyl-6-(2-propan-2-ylsulfonylethyl)-6,9-diazaspiro[4.5]decane
CID 106733011
1-butyl-3-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane
CID 64848961
8-(2-methylpropyl)-6-pentyl-6,9-diazaspiro[4.5]decane
CID 64847996
1-[(E)-but-2-enyl]-3-ethyl-1,4-diazaspiro[5.5]undecane
CID 114013930
8-ethyl-6-(2-ethylhexyl)-6,9-diazaspiro[4.5]decane
CID 64841215
1-hexyl-3-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane
CID 64850121

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-6-(3-fluoropropyl)-6,9-diazaspiro[4.5]decane?
The IUPAC name of 8-ethyl-6-(3-fluoropropyl)-6,9-diazaspiro[4.5]decane (CID 81114428) is 8-ethyl-6-(3-fluoropropyl)-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 8-ethyl-6-(3-fluoropropyl)-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 8-ethyl-6-(3-fluoropropyl)-6,9-diazaspiro[4.5]decane is CCC1CN(CCCF)C2(CCCC2)CN1.
What is the InChIKey of 8-ethyl-6-(3-fluoropropyl)-6,9-diazaspiro[4.5]decane?
The InChIKey is WDQBXKRPSNZLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25FN2/c1-2-12-10-16(9-5-8-14)13(11-15-12)6-3-4-7-13/h12,15H,2-11H2,1H3.
What are the key properties of 8-ethyl-6-(3-fluoropropyl)-6,9-diazaspiro[4.5]decane?
8-ethyl-6-(3-fluoropropyl)-6,9-diazaspiro[4.5]decane has a molecular weight of 228.35 g/mol, XLogP of 2.34, 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)-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 81114428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).