7-ethyl-5-fluoro-2-methyl-2,7-diazaspiro[3.5]nonane

C10H19FN2 — CID 175631795

IUPAC7-ethyl-5-fluoro-2-methyl-2,7-diazaspiro[3.5]nonane
SMILESCCN1CCC2(CN(C)C2)C(F)C1
InChIInChI=1S/C10H19FN2/c1-3-13-5-4-10(9(11)6-13)7-12(2)8-10/h9H,3-8H2,1-2H3
InChIKeyDXWABUVTVKOFHA-UHFFFAOYSA-N
MW186.27 g/mol
LogP0.98
Rot. Bonds1

About 7-ethyl-5-fluoro-2-methyl-2,7-diazaspiro[3.5]nonane

7-ethyl-5-fluoro-2-methyl-2,7-diazaspiro[3.5]nonane (PubChem CID 175631795) has the molecular formula C10H19FN2 and a molecular weight of 186.27 g/mol. Its IUPAC name is 7-ethyl-5-fluoro-2-methyl-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name7-ethyl-5-fluoro-2-methyl-2,7-diazaspiro[3.5]nonane
PubChem CID175631795
Molecular FormulaC10H19FN2
Molecular Weight186.27 g/mol
Exact Mass186.15
IUPAC Name7-ethyl-5-fluoro-2-methyl-2,7-diazaspiro[3.5]nonane
SMILESCCN1CCC2(CN(C)C2)C(F)C1
InChIInChI=1S/C10H19FN2/c1-3-13-5-4-10(9(11)6-13)7-12(2)8-10/h9H,3-8H2,1-2H3
InChIKeyDXWABUVTVKOFHA-UHFFFAOYSA-N
XLogP0.98
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.27
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-5-fluoro-2-methyl-2,7-diazaspiro[3.5]nonane?
The IUPAC name of 7-ethyl-5-fluoro-2-methyl-2,7-diazaspiro[3.5]nonane (CID 175631795) is 7-ethyl-5-fluoro-2-methyl-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 7-ethyl-5-fluoro-2-methyl-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for 7-ethyl-5-fluoro-2-methyl-2,7-diazaspiro[3.5]nonane is CCN1CCC2(CN(C)C2)C(F)C1.
What is the InChIKey of 7-ethyl-5-fluoro-2-methyl-2,7-diazaspiro[3.5]nonane?
The InChIKey is DXWABUVTVKOFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN2/c1-3-13-5-4-10(9(11)6-13)7-12(2)8-10/h9H,3-8H2,1-2H3.
What are the key properties of 7-ethyl-5-fluoro-2-methyl-2,7-diazaspiro[3.5]nonane?
7-ethyl-5-fluoro-2-methyl-2,7-diazaspiro[3.5]nonane has a molecular weight of 186.27 g/mol, XLogP of 0.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-5-fluoro-2-methyl-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 175631795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).