8-ethyl-9-(2-fluoroethyl)-8-methyl-6,9-diazaspiro[4.5]decane

C13H25FN2 — CID 80697005

IUPAC8-ethyl-9-(2-fluoroethyl)-8-methyl-6,9-diazaspiro[4.5]decane
SMILESCCC1(C)CNC2(CCCC2)CN1CCF
InChIInChI=1S/C13H25FN2/c1-3-12(2)10-15-13(6-4-5-7-13)11-16(12)9-8-14/h15H,3-11H2,1-2H3
InChIKeyHRDJHJBJUBABQW-UHFFFAOYSA-N
MW228.35 g/mol
LogP2.34
Rot. Bonds3

About 8-ethyl-9-(2-fluoroethyl)-8-methyl-6,9-diazaspiro[4.5]decane

8-ethyl-9-(2-fluoroethyl)-8-methyl-6,9-diazaspiro[4.5]decane (PubChem CID 80697005) has the molecular formula C13H25FN2 and a molecular weight of 228.35 g/mol. Its IUPAC name is 8-ethyl-9-(2-fluoroethyl)-8-methyl-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-ethyl-9-(2-fluoroethyl)-8-methyl-6,9-diazaspiro[4.5]decane
PubChem CID80697005
Molecular FormulaC13H25FN2
Molecular Weight228.35 g/mol
Exact Mass228.20
IUPAC Name8-ethyl-9-(2-fluoroethyl)-8-methyl-6,9-diazaspiro[4.5]decane
SMILESCCC1(C)CNC2(CCCC2)CN1CCF
InChIInChI=1S/C13H25FN2/c1-3-12(2)10-15-13(6-4-5-7-13)11-16(12)9-8-14/h15H,3-11H2,1-2H3
InChIKeyHRDJHJBJUBABQW-UHFFFAOYSA-N
XLogP2.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

8-ethyl-8-methyl-9-[2-(trifluoromethylsulfanyl)ethyl]-6,9-diazaspiro[4.5]decane
CID 116627516
8-ethyl-8-methyl-9-(2-propoxyethyl)-6,9-diazaspiro[4.5]decane
CID 106458732
2,5,5-triethyl-1-(2-fluoroethyl)-2-methylpiperazine
CID 80696303
3-ethyl-3-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazaspiro[5.5]undecane
CID 115943654
15-(2-fluoroethyl)-7,15-diazadispiro[4.2.58.25]pentadecane
CID 80696436
8-ethyl-9-(2-methoxypropyl)-8-methyl-6,9-diazaspiro[4.5]decane
CID 113383044
3-ethyl-3-methyl-4-[(2-methyltetrazol-5-yl)methyl]-1,4-diazaspiro[5.5]undecane
CID 107055949
9-[(4-chlorophenyl)methyl]-8-ethyl-8-methyl-6,9-diazaspiro[4.5]decane
CID 64878549
8-ethyl-9-(2-ethylhexyl)-8-methyl-6,9-diazaspiro[4.5]decane
CID 64877973
8-ethyl-9-[(4-iodophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane
CID 65489382
2-ethyl-1-(2-fluoroethyl)-2,5-dimethyl-5-phenylpiperazine
CID 80696442
8-ethyl-8-methyl-9-[(6-methyl-2-pyridinyl)methyl]-6,9-diazaspiro[4.5]decane
CID 79263913

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-9-(2-fluoroethyl)-8-methyl-6,9-diazaspiro[4.5]decane?
The IUPAC name of 8-ethyl-9-(2-fluoroethyl)-8-methyl-6,9-diazaspiro[4.5]decane (CID 80697005) is 8-ethyl-9-(2-fluoroethyl)-8-methyl-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 8-ethyl-9-(2-fluoroethyl)-8-methyl-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 8-ethyl-9-(2-fluoroethyl)-8-methyl-6,9-diazaspiro[4.5]decane is CCC1(C)CNC2(CCCC2)CN1CCF.
What is the InChIKey of 8-ethyl-9-(2-fluoroethyl)-8-methyl-6,9-diazaspiro[4.5]decane?
The InChIKey is HRDJHJBJUBABQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25FN2/c1-3-12(2)10-15-13(6-4-5-7-13)11-16(12)9-8-14/h15H,3-11H2,1-2H3.
What are the key properties of 8-ethyl-9-(2-fluoroethyl)-8-methyl-6,9-diazaspiro[4.5]decane?
8-ethyl-9-(2-fluoroethyl)-8-methyl-6,9-diazaspiro[4.5]decane has a molecular weight of 228.35 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-9-(2-fluoroethyl)-8-methyl-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 80697005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).