4-(3-fluoropropyl)-3-methyl-1,4-diazaspiro[5.5]undecane

C13H25FN2 — CID 81113962

IUPAC4-(3-fluoropropyl)-3-methyl-1,4-diazaspiro[5.5]undecane
SMILESCC1CNC2(CCCCC2)CN1CCCF
InChIInChI=1S/C13H25FN2/c1-12-10-15-13(6-3-2-4-7-13)11-16(12)9-5-8-14/h12,15H,2-11H2,1H3
InChIKeyOIHGVLSMYKPTMM-UHFFFAOYSA-N
MW228.35 g/mol
LogP2.34
Rot. Bonds3

About 4-(3-fluoropropyl)-3-methyl-1,4-diazaspiro[5.5]undecane

4-(3-fluoropropyl)-3-methyl-1,4-diazaspiro[5.5]undecane (PubChem CID 81113962) has the molecular formula C13H25FN2 and a molecular weight of 228.35 g/mol. Its IUPAC name is 4-(3-fluoropropyl)-3-methyl-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-(3-fluoropropyl)-3-methyl-1,4-diazaspiro[5.5]undecane
PubChem CID81113962
Molecular FormulaC13H25FN2
Molecular Weight228.35 g/mol
Exact Mass228.20
IUPAC Name4-(3-fluoropropyl)-3-methyl-1,4-diazaspiro[5.5]undecane
SMILESCC1CNC2(CCCCC2)CN1CCCF
InChIInChI=1S/C13H25FN2/c1-12-10-15-13(6-3-2-4-7-13)11-16(12)9-5-8-14/h12,15H,2-11H2,1H3
InChIKeyOIHGVLSMYKPTMM-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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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoropropyl)-3-methyl-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 4-(3-fluoropropyl)-3-methyl-1,4-diazaspiro[5.5]undecane (CID 81113962) is 4-(3-fluoropropyl)-3-methyl-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-(3-fluoropropyl)-3-methyl-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 4-(3-fluoropropyl)-3-methyl-1,4-diazaspiro[5.5]undecane is CC1CNC2(CCCCC2)CN1CCCF.
What is the InChIKey of 4-(3-fluoropropyl)-3-methyl-1,4-diazaspiro[5.5]undecane?
The InChIKey is OIHGVLSMYKPTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25FN2/c1-12-10-15-13(6-3-2-4-7-13)11-16(12)9-5-8-14/h12,15H,2-11H2,1H3.
What are the key properties of 4-(3-fluoropropyl)-3-methyl-1,4-diazaspiro[5.5]undecane?
4-(3-fluoropropyl)-3-methyl-1,4-diazaspiro[5.5]undecane 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 4-(3-fluoropropyl)-3-methyl-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 81113962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).