3-cyclopropyl-4-(2-fluoroethyl)-3-methyl-1,4-diazaspiro[5.5]undecane

C15H27FN2 — CID 80696741

IUPAC3-cyclopropyl-4-(2-fluoroethyl)-3-methyl-1,4-diazaspiro[5.5]undecane
SMILESCC1(C2CC2)CNC2(CCCCC2)CN1CCF
InChIInChI=1S/C15H27FN2/c1-14(13-5-6-13)11-17-15(7-3-2-4-8-15)12-18(14)10-9-16/h13,17H,2-12H2,1H3
InChIKeyKJNWDTXOKIAUPM-UHFFFAOYSA-N
MW254.39 g/mol
LogP2.73
Rot. Bonds3

About 3-cyclopropyl-4-(2-fluoroethyl)-3-methyl-1,4-diazaspiro[5.5]undecane

3-cyclopropyl-4-(2-fluoroethyl)-3-methyl-1,4-diazaspiro[5.5]undecane (PubChem CID 80696741) has the molecular formula C15H27FN2 and a molecular weight of 254.39 g/mol. Its IUPAC name is 3-cyclopropyl-4-(2-fluoroethyl)-3-methyl-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3-cyclopropyl-4-(2-fluoroethyl)-3-methyl-1,4-diazaspiro[5.5]undecane
PubChem CID80696741
Molecular FormulaC15H27FN2
Molecular Weight254.39 g/mol
Exact Mass254.22
IUPAC Name3-cyclopropyl-4-(2-fluoroethyl)-3-methyl-1,4-diazaspiro[5.5]undecane
SMILESCC1(C2CC2)CNC2(CCCCC2)CN1CCF
InChIInChI=1S/C15H27FN2/c1-14(13-5-6-13)11-17-15(7-3-2-4-8-15)12-18(14)10-9-16/h13,17H,2-12H2,1H3
InChIKeyKJNWDTXOKIAUPM-UHFFFAOYSA-N
XLogP2.73
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.39
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-4-(2-fluoroethyl)-3-methyl-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 3-cyclopropyl-4-(2-fluoroethyl)-3-methyl-1,4-diazaspiro[5.5]undecane (CID 80696741) is 3-cyclopropyl-4-(2-fluoroethyl)-3-methyl-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 3-cyclopropyl-4-(2-fluoroethyl)-3-methyl-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 3-cyclopropyl-4-(2-fluoroethyl)-3-methyl-1,4-diazaspiro[5.5]undecane is CC1(C2CC2)CNC2(CCCCC2)CN1CCF.
What is the InChIKey of 3-cyclopropyl-4-(2-fluoroethyl)-3-methyl-1,4-diazaspiro[5.5]undecane?
The InChIKey is KJNWDTXOKIAUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27FN2/c1-14(13-5-6-13)11-17-15(7-3-2-4-8-15)12-18(14)10-9-16/h13,17H,2-12H2,1H3.
What are the key properties of 3-cyclopropyl-4-(2-fluoroethyl)-3-methyl-1,4-diazaspiro[5.5]undecane?
3-cyclopropyl-4-(2-fluoroethyl)-3-methyl-1,4-diazaspiro[5.5]undecane has a molecular weight of 254.39 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4-(2-fluoroethyl)-3-methyl-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 80696741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).