4-methyl-4-[2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl]morpholin-4-ium

C17H32NO2+ — CID 3803696

IUPAC4-methyl-4-[2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl]morpholin-4-ium
SMILESCC1(C)C2CCC1(C)C(OCC[N+]1(C)CCOCC1)C2
InChIInChI=1S/C17H32NO2/c1-16(2)14-5-6-17(16,3)15(13-14)20-12-9-18(4)7-10-19-11-8-18/h14-15H,5-13H2,1-4H3/q+1
InChIKeyICGYXPYGYBAYQN-UHFFFAOYSA-N
MW282.45 g/mol
LogP2.69
Rot. Bonds4

About 4-methyl-4-[2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl]morpholin-4-ium

4-methyl-4-[2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl]morpholin-4-ium (PubChem CID 3803696) has the molecular formula C17H32NO2+ and a molecular weight of 282.45 g/mol. Its IUPAC name is 4-methyl-4-[2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl]morpholin-4-ium.

Molecular Properties

Compound Name4-methyl-4-[2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl]morpholin-4-ium
PubChem CID3803696
Molecular FormulaC17H32NO2+
Molecular Weight282.45 g/mol
Exact Mass282.24
IUPAC Name4-methyl-4-[2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl]morpholin-4-ium
SMILESCC1(C)C2CCC1(C)C(OCC[N+]1(C)CCOCC1)C2
InChIInChI=1S/C17H32NO2/c1-16(2)14-5-6-17(16,3)15(13-14)20-12-9-18(4)7-10-19-11-8-18/h14-15H,5-13H2,1-4H3/q+1
InChIKeyICGYXPYGYBAYQN-UHFFFAOYSA-N
XLogP2.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 4-methyl-4-[2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl]morpholin-4-ium with MolForge

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Related Compounds

(2-Cyclohexyloxy-2-oxoethyl)-dimethyl-[2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl]azanium chloride
CID 12005622
Hexyloxycarbonylmethyl-dimethyl-[2-(1,7,7-trimethyl-bicyclo[2.2.1]hept-2-yloxy)-ethyl]-ammonium
CID 11958717
2-(heptyloxy)-N,N-dimethyl-2-oxo-N-(2-(((1S,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl)oxy)ethyl)ethanaminium bromide
CID 12005609
Dimethyl-[2-(3-methylbutoxy)-2-oxoethyl]-[2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl]azanium chloride
CID 16188796
(2-Butan-2-yloxy-2-oxoethyl)-dimethyl-[2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl]azanium chloride
CID 16189735
4-Methyl-4-((1S,2S,4S)-1,7,7-trimethyl-bicyclo[2.2.1]hept-2-yloxycarbonylmethyl)-morpholin-4-ium
CID 18502834
2-[2-(2-Bornyloxy)ethoxy]triethylamine
CID 338089
[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 2-(diethylamino)acetate
CID 929702
[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 2-morpholin-4-ylacetate
CID 1551170
2-butoxy-N,N-dimethyl-2-oxo-N-(2-(((1S,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl)oxy)ethyl)ethanaminium bromide
CID 12005623
[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 2-piperidin-1-ylacetate
CID 13755927
(2-Ethoxy-2-oxoethyl)-dimethyl-[2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl]azanium chloride
CID 16192758

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl]morpholin-4-ium?
The IUPAC name of 4-methyl-4-[2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl]morpholin-4-ium (CID 3803696) is 4-methyl-4-[2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl]morpholin-4-ium.
What is the SMILES notation for 4-methyl-4-[2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl]morpholin-4-ium?
The canonical SMILES for 4-methyl-4-[2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl]morpholin-4-ium is CC1(C)C2CCC1(C)C(OCC[N+]1(C)CCOCC1)C2.
What is the InChIKey of 4-methyl-4-[2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl]morpholin-4-ium?
The InChIKey is ICGYXPYGYBAYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32NO2/c1-16(2)14-5-6-17(16,3)15(13-14)20-12-9-18(4)7-10-19-11-8-18/h14-15H,5-13H2,1-4H3/q+1.
What are the key properties of 4-methyl-4-[2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl]morpholin-4-ium?
4-methyl-4-[2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl]morpholin-4-ium has a molecular weight of 282.45 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl]morpholin-4-ium is sourced from PubChem (CID 3803696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).