7-ethyl-2-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)-2-azaspiro[3.5]nonane

C17H26FN — CID 176552968

IUPAC7-ethyl-2-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)-2-azaspiro[3.5]nonane
SMILESCCC1CCC2(CC1)CN(C1=C(F)CCC=C1C)C2
InChIInChI=1S/C17H26FN/c1-3-14-7-9-17(10-8-14)11-19(12-17)16-13(2)5-4-6-15(16)18/h5,14H,3-4,6-12H2,1-2H3
InChIKeyLVSPTSGOLZMSRS-UHFFFAOYSA-N
MW263.40 g/mol
LogP4.81
Rot. Bonds2

About 7-ethyl-2-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)-2-azaspiro[3.5]nonane

7-ethyl-2-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)-2-azaspiro[3.5]nonane (PubChem CID 176552968) has the molecular formula C17H26FN and a molecular weight of 263.40 g/mol. Its IUPAC name is 7-ethyl-2-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name7-ethyl-2-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)-2-azaspiro[3.5]nonane
PubChem CID176552968
Molecular FormulaC17H26FN
Molecular Weight263.40 g/mol
Exact Mass263.20
IUPAC Name7-ethyl-2-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)-2-azaspiro[3.5]nonane
SMILESCCC1CCC2(CC1)CN(C1=C(F)CCC=C1C)C2
InChIInChI=1S/C17H26FN/c1-3-14-7-9-17(10-8-14)11-19(12-17)16-13(2)5-4-6-15(16)18/h5,14H,3-4,6-12H2,1-2H3
InChIKeyLVSPTSGOLZMSRS-UHFFFAOYSA-N
XLogP4.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[3-ethenyl-2-(3-fluoropentyl)-3-propylheptyl]-4-ethyl-N,3,5-trimethylcyclohexa-1,2,5-trien-1-amine
CID 123490671
(6E)-6-[(E,2E)-3-ethyl-2-ethylidene-4-methylhex-3-enylidene]-1-[(4-fluoro-4-methylcyclohexyl)methyl]-4-methyl-5-methylidene-2H-pyridine
CID 135295121
N-[4-(6-ethyl-3,5-difluorocyclohexa-1,3-dien-1-yl)-3,3,4-trimethylpentan-2-yl]-N,6-dimethylcyclohexa-1,5-dien-1-amine
CID 155106139
3-[2-(4-ethenyl-4-propylcyclohexyl)prop-2-enyl]-1-[[(6E)-11-fluoro-6-methyl-4-bicyclo[6.4.1]trideca-2,4,6,8(13),9,11-hexaenyl]methyl]-3-methylazetidine
CID 173688852
2-(2-Fluoro-6-methylcyclohexa-1,5-dien-1-yl)-7-propan-2-yl-2-azaspiro[3.5]nonane
CID 176552689
2-(2-Fluoro-6-methylcyclohexa-1,5-dien-1-yl)-7-methyl-2-azaspiro[3.5]nonane
CID 176552888
1,4'-Dimethyl-5-methylidenespiro[2,6-dihydrocyclopenta[b]pyridine-7,1'-cyclohexane]
CID 142805166
2-(4-Ethylcyclohex-3-en-1-yl)-7-methyl-2-azaspiro[3.5]nonane
CID 166980896
Ethylcyclohexane;7-ethyl-2-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)-2-azaspiro[3.5]nonane
CID 176552967
2-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]-2-azaspiro[3.5]nonane
CID 142511976
1-Butan-2-yl-3,3-dimethyl-6-[(4-methylcyclohexyl)methyl]-5-methylidene-2,4-dihydroindole
CID 170603104
1-But-1-en-2-yl-4-ethyl-3,3-dimethyl-6-[(4-methylcyclohexyl)methyl]-5-methylidene-2,4-dihydroindole
CID 170603207

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)-2-azaspiro[3.5]nonane?
The IUPAC name of 7-ethyl-2-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)-2-azaspiro[3.5]nonane (CID 176552968) is 7-ethyl-2-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)-2-azaspiro[3.5]nonane.
What is the SMILES notation for 7-ethyl-2-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)-2-azaspiro[3.5]nonane?
The canonical SMILES for 7-ethyl-2-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)-2-azaspiro[3.5]nonane is CCC1CCC2(CC1)CN(C1=C(F)CCC=C1C)C2.
What is the InChIKey of 7-ethyl-2-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)-2-azaspiro[3.5]nonane?
The InChIKey is LVSPTSGOLZMSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN/c1-3-14-7-9-17(10-8-14)11-19(12-17)16-13(2)5-4-6-15(16)18/h5,14H,3-4,6-12H2,1-2H3.
What are the key properties of 7-ethyl-2-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)-2-azaspiro[3.5]nonane?
7-ethyl-2-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)-2-azaspiro[3.5]nonane has a molecular weight of 263.40 g/mol, XLogP of 4.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)-2-azaspiro[3.5]nonane is sourced from PubChem (CID 176552968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).