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

C25H42FN — CID 176552967

IUPACethylcyclohexane;7-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.CCC1CCCCC1
InChIInChI=1S/C17H26FN.C8H16/c1-3-14-7-9-17(10-8-14)11-19(12-17)16-13(2)5-4-6-15(16)18;1-2-8-6-4-3-5-7-8/h5,14H,3-4,6-12H2,1-2H3;8H,2-7H2,1H3
InChIKeyRYRNSAVAKSCHPY-UHFFFAOYSA-N
MW375.62 g/mol
LogP7.79
Rot. Bonds3

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

ethylcyclohexane;7-ethyl-2-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)-2-azaspiro[3.5]nonane (PubChem CID 176552967) has the molecular formula C25H42FN and a molecular weight of 375.62 g/mol. Its IUPAC name is ethylcyclohexane;7-ethyl-2-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Nameethylcyclohexane;7-ethyl-2-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)-2-azaspiro[3.5]nonane
PubChem CID176552967
Molecular FormulaC25H42FN
Molecular Weight375.62 g/mol
Exact Mass375.33
IUPAC Nameethylcyclohexane;7-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.CCC1CCCCC1
InChIInChI=1S/C17H26FN.C8H16/c1-3-14-7-9-17(10-8-14)11-19(12-17)16-13(2)5-4-6-15(16)18;1-2-8-6-4-3-5-7-8/h5,14H,3-4,6-12H2,1-2H3;8H,2-7H2,1H3
InChIKeyRYRNSAVAKSCHPY-UHFFFAOYSA-N
XLogP7.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.62
LogP ≤ 57.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

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Related Compounds

7-ethyl-2-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)-2-azaspiro[3.5]nonane
CID 176552968
2-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)-7-propan-2-yl-2-azaspiro[3.5]nonane
CID 176552689
1-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)piperidin-4-amine
CID 176552600
ethylcyclooctane;fluoromethane
CID 174962953
cyclobutane;cycloheptane;cyclooctane;cyclopentane;ethylcyclohexane
CID 159227929
ethylcyclopentane;methane
CID 143390575
tris(ethylcyclopentane);gadolinium
CID 160752471
ethane;bis(ethylcyclopentane)
CID 158911237
chromium;bis(ethylcyclopentane)
CID 91996240
4-ethyl-1-(4-fluoro-3-methylphenyl)cycloheptan-1-ol
CID 65086040
cycloocta-1,5-diene;ethylcyclopentane;iridium
CID 161218097
ethylcyclohexane;formonitrile
CID 174889190

Frequently Asked Questions

What is the IUPAC name of ethylcyclohexane;7-ethyl-2-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)-2-azaspiro[3.5]nonane?
The IUPAC name of ethylcyclohexane;7-ethyl-2-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)-2-azaspiro[3.5]nonane (CID 176552967) is ethylcyclohexane;7-ethyl-2-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)-2-azaspiro[3.5]nonane.
What is the SMILES notation for ethylcyclohexane;7-ethyl-2-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)-2-azaspiro[3.5]nonane?
The canonical SMILES for ethylcyclohexane;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.CCC1CCCCC1.
What is the InChIKey of ethylcyclohexane;7-ethyl-2-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)-2-azaspiro[3.5]nonane?
The InChIKey is RYRNSAVAKSCHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN.C8H16/c1-3-14-7-9-17(10-8-14)11-19(12-17)16-13(2)5-4-6-15(16)18;1-2-8-6-4-3-5-7-8/h5,14H,3-4,6-12H2,1-2H3;8H,2-7H2,1H3.
What are the key properties of ethylcyclohexane;7-ethyl-2-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)-2-azaspiro[3.5]nonane?
ethylcyclohexane;7-ethyl-2-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)-2-azaspiro[3.5]nonane has a molecular weight of 375.62 g/mol, XLogP of 7.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethylcyclohexane;7-ethyl-2-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)-2-azaspiro[3.5]nonane is sourced from PubChem (CID 176552967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).