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

C18H28FN — CID 176552689

IUPAC2-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)-7-propan-2-yl-2-azaspiro[3.5]nonane
SMILESCC1=CCCC(F)=C1N1CC2(CCC(C(C)C)CC2)C1
InChIInChI=1S/C18H28FN/c1-13(2)15-7-9-18(10-8-15)11-20(12-18)17-14(3)5-4-6-16(17)19/h5,13,15H,4,6-12H2,1-3H3
InChIKeyAYUYOUONYFCUNG-UHFFFAOYSA-N
MW277.43 g/mol
LogP5.06
Rot. Bonds2

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

2-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)-7-propan-2-yl-2-azaspiro[3.5]nonane (PubChem CID 176552689) has the molecular formula C18H28FN and a molecular weight of 277.43 g/mol. Its IUPAC name is 2-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)-7-propan-2-yl-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)-7-propan-2-yl-2-azaspiro[3.5]nonane
PubChem CID176552689
Molecular FormulaC18H28FN
Molecular Weight277.43 g/mol
Exact Mass277.22
IUPAC Name2-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)-7-propan-2-yl-2-azaspiro[3.5]nonane
SMILESCC1=CCCC(F)=C1N1CC2(CCC(C(C)C)CC2)C1
InChIInChI=1S/C18H28FN/c1-13(2)15-7-9-18(10-8-15)11-20(12-18)17-14(3)5-4-6-16(17)19/h5,13,15H,4,6-12H2,1-3H3
InChIKeyAYUYOUONYFCUNG-UHFFFAOYSA-N
XLogP5.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.43
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)-7-propan-2-yl-2-azaspiro[3.5]nonane with MolForge

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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
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-methyl-2-azaspiro[3.5]nonane
CID 176552888
7-Ethyl-2-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)-2-azaspiro[3.5]nonane
CID 176552968
1-methyl-7-[(1S,5S)-3,6,6-trimethyl-2-bicyclo[3.1.1]hept-2-enyl]-2,3,4,5-tetrahydroazepine
CID 59390118
1-methyl-7-[(1R,5R)-3,6,6-trimethyl-2-bicyclo[3.1.1]hept-2-enyl]-2,3,4,5-tetrahydroazepine
CID 70864683
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
N-[(4-tert-butylcyclohexyl)methyl]-N-methylcyclohexa-1,3-dien-1-amine
CID 178991492
1-Butan-2-yl-3,3-dimethyl-6-[(4-methylcyclohexyl)methyl]-5-methylidene-2,4-dihydroindole
CID 170603104

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)-7-propan-2-yl-2-azaspiro[3.5]nonane?
The IUPAC name of 2-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)-7-propan-2-yl-2-azaspiro[3.5]nonane (CID 176552689) is 2-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)-7-propan-2-yl-2-azaspiro[3.5]nonane.
What is the SMILES notation for 2-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)-7-propan-2-yl-2-azaspiro[3.5]nonane?
The canonical SMILES for 2-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)-7-propan-2-yl-2-azaspiro[3.5]nonane is CC1=CCCC(F)=C1N1CC2(CCC(C(C)C)CC2)C1.
What is the InChIKey of 2-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)-7-propan-2-yl-2-azaspiro[3.5]nonane?
The InChIKey is AYUYOUONYFCUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN/c1-13(2)15-7-9-18(10-8-15)11-20(12-18)17-14(3)5-4-6-16(17)19/h5,13,15H,4,6-12H2,1-3H3.
What are the key properties of 2-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)-7-propan-2-yl-2-azaspiro[3.5]nonane?
2-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)-7-propan-2-yl-2-azaspiro[3.5]nonane has a molecular weight of 277.43 g/mol, XLogP of 5.06, 2 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-propan-2-yl-2-azaspiro[3.5]nonane is sourced from PubChem (CID 176552689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).