3-propyl-1-(3,3,3-trifluoropropyl)-1,4-diazaspiro[5.5]undecane

C15H27F3N2 — CID 64837857

IUPAC3-propyl-1-(3,3,3-trifluoropropyl)-1,4-diazaspiro[5.5]undecane
SMILESCCCC1CN(CCC(F)(F)F)C2(CCCCC2)CN1
InChIInChI=1S/C15H27F3N2/c1-2-6-13-11-20(10-9-15(16,17)18)14(12-19-13)7-4-3-5-8-14/h13,19H,2-12H2,1H3
InChIKeyPBYLPEPGKVIJDQ-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.72
Rot. Bonds4

About 3-propyl-1-(3,3,3-trifluoropropyl)-1,4-diazaspiro[5.5]undecane

3-propyl-1-(3,3,3-trifluoropropyl)-1,4-diazaspiro[5.5]undecane (PubChem CID 64837857) has the molecular formula C15H27F3N2 and a molecular weight of 292.39 g/mol. Its IUPAC name is 3-propyl-1-(3,3,3-trifluoropropyl)-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3-propyl-1-(3,3,3-trifluoropropyl)-1,4-diazaspiro[5.5]undecane
PubChem CID64837857
Molecular FormulaC15H27F3N2
Molecular Weight292.39 g/mol
Exact Mass292.21
IUPAC Name3-propyl-1-(3,3,3-trifluoropropyl)-1,4-diazaspiro[5.5]undecane
SMILESCCCC1CN(CCC(F)(F)F)C2(CCCCC2)CN1
InChIInChI=1S/C15H27F3N2/c1-2-6-13-11-20(10-9-15(16,17)18)14(12-19-13)7-4-3-5-8-14/h13,19H,2-12H2,1H3
InChIKeyPBYLPEPGKVIJDQ-UHFFFAOYSA-N
XLogP3.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propyl-1-(3,3,3-trifluoropropyl)-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 3-propyl-1-(3,3,3-trifluoropropyl)-1,4-diazaspiro[5.5]undecane (CID 64837857) is 3-propyl-1-(3,3,3-trifluoropropyl)-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 3-propyl-1-(3,3,3-trifluoropropyl)-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 3-propyl-1-(3,3,3-trifluoropropyl)-1,4-diazaspiro[5.5]undecane is CCCC1CN(CCC(F)(F)F)C2(CCCCC2)CN1.
What is the InChIKey of 3-propyl-1-(3,3,3-trifluoropropyl)-1,4-diazaspiro[5.5]undecane?
The InChIKey is PBYLPEPGKVIJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2/c1-2-6-13-11-20(10-9-15(16,17)18)14(12-19-13)7-4-3-5-8-14/h13,19H,2-12H2,1H3.
What are the key properties of 3-propyl-1-(3,3,3-trifluoropropyl)-1,4-diazaspiro[5.5]undecane?
3-propyl-1-(3,3,3-trifluoropropyl)-1,4-diazaspiro[5.5]undecane has a molecular weight of 292.39 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-1-(3,3,3-trifluoropropyl)-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 64837857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).