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

C16H37FN2 — CID 154671163

IUPACethane;2-ethyl-5-fluoro-5-methyl-2,7-diazaspiro[3.5]nonane
SMILESCC.CC.CC.CCN1CC2(CCNCC2(C)F)C1
InChIInChI=1S/C10H19FN2.3C2H6/c1-3-13-7-10(8-13)4-5-12-6-9(10,2)11;3*1-2/h12H,3-8H2,1-2H3;3*1-2H3
InChIKeyUXQGHROSEOSHJP-UHFFFAOYSA-N
MW276.48 g/mol
LogP4.11
Rot. Bonds1

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

ethane;2-ethyl-5-fluoro-5-methyl-2,7-diazaspiro[3.5]nonane (PubChem CID 154671163) has the molecular formula C16H37FN2 and a molecular weight of 276.48 g/mol. Its IUPAC name is ethane;2-ethyl-5-fluoro-5-methyl-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Nameethane;2-ethyl-5-fluoro-5-methyl-2,7-diazaspiro[3.5]nonane
PubChem CID154671163
Molecular FormulaC16H37FN2
Molecular Weight276.48 g/mol
Exact Mass276.29
IUPAC Nameethane;2-ethyl-5-fluoro-5-methyl-2,7-diazaspiro[3.5]nonane
SMILESCC.CC.CC.CCN1CC2(CCNCC2(C)F)C1
InChIInChI=1S/C10H19FN2.3C2H6/c1-3-13-7-10(8-13)4-5-12-6-9(10,2)11;3*1-2/h12H,3-8H2,1-2H3;3*1-2H3
InChIKeyUXQGHROSEOSHJP-UHFFFAOYSA-N
XLogP4.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.48
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-5-fluoro-5-methyl-2,7-diazaspiro[3.5]nonane
CID 154671164
2-ethyl-5,5-difluoro-2,7-diazaspiro[3.5]nonane
CID 175631153
ethane;1-ethyl-3-fluoro-3-methylazetidine
CID 178155660
2-ethyl-2,7-diazaspiro[4.4]nonane chloride
CID 53314750
8-ethyl-2,8-diazaspiro[4.5]decane
CID 46318290
3,3-dimethylpyrrolidine;hydroiodide
CID 173023387
(3S)-3-ethyl-3-fluoropyrrolidine
CID 129375311
5,5-difluoro-2-methyl-2,7-diazaspiro[3.5]nonane;dihydrochloride
CID 155895873
ethane;2-ethyl-7-fluoro-7-methyl-2-azaspiro[3.5]nonane
CID 168970742
6,6-dimethyl-1,4-diazocane
CID 139442519
ethane;1-ethyl-3,3-difluoro-4,4-dimethylpyrrolidine
CID 144847221
3,3-difluoro-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine;hydrochloride
CID 120902688

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-5-fluoro-5-methyl-2,7-diazaspiro[3.5]nonane?
The IUPAC name of ethane;2-ethyl-5-fluoro-5-methyl-2,7-diazaspiro[3.5]nonane (CID 154671163) is ethane;2-ethyl-5-fluoro-5-methyl-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for ethane;2-ethyl-5-fluoro-5-methyl-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for ethane;2-ethyl-5-fluoro-5-methyl-2,7-diazaspiro[3.5]nonane is CC.CC.CC.CCN1CC2(CCNCC2(C)F)C1.
What is the InChIKey of ethane;2-ethyl-5-fluoro-5-methyl-2,7-diazaspiro[3.5]nonane?
The InChIKey is UXQGHROSEOSHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN2.3C2H6/c1-3-13-7-10(8-13)4-5-12-6-9(10,2)11;3*1-2/h12H,3-8H2,1-2H3;3*1-2H3.
What are the key properties of ethane;2-ethyl-5-fluoro-5-methyl-2,7-diazaspiro[3.5]nonane?
ethane;2-ethyl-5-fluoro-5-methyl-2,7-diazaspiro[3.5]nonane has a molecular weight of 276.48 g/mol, XLogP of 4.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-5-fluoro-5-methyl-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 154671163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).