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

C13H23FN2 — CID 80696299

IUPAC8-cyclopropyl-9-(2-fluoroethyl)-6,9-diazaspiro[4.5]decane
SMILESFCCN1CC2(CCCC2)NCC1C1CC1
InChIInChI=1S/C13H23FN2/c14-7-8-16-10-13(5-1-2-6-13)15-9-12(16)11-3-4-11/h11-12,15H,1-10H2
InChIKeyDUBCWAAALYOUBV-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.95
Rot. Bonds3

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

8-cyclopropyl-9-(2-fluoroethyl)-6,9-diazaspiro[4.5]decane (PubChem CID 80696299) has the molecular formula C13H23FN2 and a molecular weight of 226.34 g/mol. Its IUPAC name is 8-cyclopropyl-9-(2-fluoroethyl)-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-cyclopropyl-9-(2-fluoroethyl)-6,9-diazaspiro[4.5]decane
PubChem CID80696299
Molecular FormulaC13H23FN2
Molecular Weight226.34 g/mol
Exact Mass226.18
IUPAC Name8-cyclopropyl-9-(2-fluoroethyl)-6,9-diazaspiro[4.5]decane
SMILESFCCN1CC2(CCCC2)NCC1C1CC1
InChIInChI=1S/C13H23FN2/c14-7-8-16-10-13(5-1-2-6-13)15-9-12(16)11-3-4-11/h11-12,15H,1-10H2
InChIKeyDUBCWAAALYOUBV-UHFFFAOYSA-N
XLogP1.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopropyl-9-(2-fluoroethyl)-6,9-diazaspiro[4.5]decane?
The IUPAC name of 8-cyclopropyl-9-(2-fluoroethyl)-6,9-diazaspiro[4.5]decane (CID 80696299) is 8-cyclopropyl-9-(2-fluoroethyl)-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 8-cyclopropyl-9-(2-fluoroethyl)-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 8-cyclopropyl-9-(2-fluoroethyl)-6,9-diazaspiro[4.5]decane is FCCN1CC2(CCCC2)NCC1C1CC1.
What is the InChIKey of 8-cyclopropyl-9-(2-fluoroethyl)-6,9-diazaspiro[4.5]decane?
The InChIKey is DUBCWAAALYOUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23FN2/c14-7-8-16-10-13(5-1-2-6-13)15-9-12(16)11-3-4-11/h11-12,15H,1-10H2.
What are the key properties of 8-cyclopropyl-9-(2-fluoroethyl)-6,9-diazaspiro[4.5]decane?
8-cyclopropyl-9-(2-fluoroethyl)-6,9-diazaspiro[4.5]decane has a molecular weight of 226.34 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropyl-9-(2-fluoroethyl)-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 80696299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).