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

C16H24FN — CID 176552888

IUPAC2-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)-7-methyl-2-azaspiro[3.5]nonane
SMILESCC1=CCCC(F)=C1N1CC2(CCC(C)CC2)C1
InChIInChI=1S/C16H24FN/c1-12-6-8-16(9-7-12)10-18(11-16)15-13(2)4-3-5-14(15)17/h4,12H,3,5-11H2,1-2H3
InChIKeyPQAQWVGGBHONHB-UHFFFAOYSA-N
MW249.37 g/mol
LogP4.42
Rot. Bonds1

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

2-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)-7-methyl-2-azaspiro[3.5]nonane (PubChem CID 176552888) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is 2-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)-7-methyl-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)-7-methyl-2-azaspiro[3.5]nonane
PubChem CID176552888
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC Name2-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)-7-methyl-2-azaspiro[3.5]nonane
SMILESCC1=CCCC(F)=C1N1CC2(CCC(C)CC2)C1
InChIInChI=1S/C16H24FN/c1-12-6-8-16(9-7-12)10-18(11-16)15-13(2)4-3-5-14(15)17/h4,12H,3,5-11H2,1-2H3
InChIKeyPQAQWVGGBHONHB-UHFFFAOYSA-N
XLogP4.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.37
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(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
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
7-Ethyl-2-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)-2-azaspiro[3.5]nonane
CID 176552968
(3E)-N-[[(3Z)-3-[2-(2,6-dimethylcyclohexa-1,5-dien-1-yl)prop-2-enylidene]-1-methylcyclohexyl]methyl]-N-ethyl-3,6-dimethylhepta-1,3,6-trien-2-amine
CID 134343362
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 2-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)-7-methyl-2-azaspiro[3.5]nonane?
The IUPAC name of 2-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)-7-methyl-2-azaspiro[3.5]nonane (CID 176552888) is 2-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)-7-methyl-2-azaspiro[3.5]nonane.
What is the SMILES notation for 2-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)-7-methyl-2-azaspiro[3.5]nonane?
The canonical SMILES for 2-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)-7-methyl-2-azaspiro[3.5]nonane is CC1=CCCC(F)=C1N1CC2(CCC(C)CC2)C1.
What is the InChIKey of 2-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)-7-methyl-2-azaspiro[3.5]nonane?
The InChIKey is PQAQWVGGBHONHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN/c1-12-6-8-16(9-7-12)10-18(11-16)15-13(2)4-3-5-14(15)17/h4,12H,3,5-11H2,1-2H3.
What are the key properties of 2-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)-7-methyl-2-azaspiro[3.5]nonane?
2-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)-7-methyl-2-azaspiro[3.5]nonane has a molecular weight of 249.37 g/mol, XLogP of 4.42, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)-7-methyl-2-azaspiro[3.5]nonane is sourced from PubChem (CID 176552888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).