2-(dimethylamino)ethyl-dimethyl-[2-oxo-2-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]ethyl]azanium

C18H35N2O2+ — CID 19915894

IUPAC2-(dimethylamino)ethyl-dimethyl-[2-oxo-2-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]ethyl]azanium
SMILESCN(C)CC[N+](C)(C)CC(=O)O[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C
InChIInChI=1S/C18H35N2O2/c1-17(2)14-8-9-18(17,3)15(12-14)22-16(21)13-20(6,7)11-10-19(4)5/h14-15H,8-13H2,1-7H3/q+1/t14-,15-,18-/m1/s1
InChIKeyBVKFXPKXEGSBAJ-IIDMSEBBSA-N
MW311.49 g/mol
LogP2.38
Rot. Bonds6

About 2-(dimethylamino)ethyl-dimethyl-[2-oxo-2-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]ethyl]azanium

2-(dimethylamino)ethyl-dimethyl-[2-oxo-2-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]ethyl]azanium (PubChem CID 19915894) has the molecular formula C18H35N2O2+ and a molecular weight of 311.49 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl-dimethyl-[2-oxo-2-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]ethyl]azanium.

Molecular Properties

Compound Name2-(dimethylamino)ethyl-dimethyl-[2-oxo-2-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]ethyl]azanium
PubChem CID19915894
Molecular FormulaC18H35N2O2+
Molecular Weight311.49 g/mol
Exact Mass311.27
IUPAC Name2-(dimethylamino)ethyl-dimethyl-[2-oxo-2-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]ethyl]azanium
SMILESCN(C)CC[N+](C)(C)CC(=O)O[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C
InChIInChI=1S/C18H35N2O2/c1-17(2)14-8-9-18(17,3)15(12-14)22-16(21)13-20(6,7)11-10-19(4)5/h14-15H,8-13H2,1-7H3/q+1/t14-,15-,18-/m1/s1
InChIKeyBVKFXPKXEGSBAJ-IIDMSEBBSA-N
XLogP2.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.49
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(dimethylamino)ethyl-dimethyl-[2-oxo-2-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]ethyl]azanium with MolForge

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Related Compounds

dimethyl-[2-oxo-2-[[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]ethyl]-[2-oxo-2-[[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]ethyl]azanium
CID 25425263
dimethyl-[2-oxo-2-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]ethyl]-[2-[[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]ethyl]azanium
CID 98476948
dimethyl-[2-oxo-2-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]ethyl]-[2-[[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]ethyl]azanium
CID 98476949
trimethyl-[2-oxo-2-[[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]ethyl]azanium
CID 19915989
dimethyl-[2-oxo-2-[[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]ethyl]-prop-2-enylazanium
CID 98132627
(2-cyclohexyloxy-2-oxoethyl)-dimethyl-[2-[[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]ethyl]azanium
CID 98131920
dimethyl-[2-(3-methylbutoxy)-2-oxoethyl]-[3-oxo-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propyl]azanium
CID 3939839
(2-ethoxy-2-oxoethyl)-dimethyl-[2-[[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]ethyl]azanium
CID 19915979
(2-ethoxy-2-oxoethyl)-dimethyl-[2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl]azanium bromide
CID 44656242
[(1R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 2-[(2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetate
CID 123733443
bis(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) hexanedioate
CID 18003095
[(1S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 2-chloroacetate
CID 46738620

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl-dimethyl-[2-oxo-2-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]ethyl]azanium?
The IUPAC name of 2-(dimethylamino)ethyl-dimethyl-[2-oxo-2-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]ethyl]azanium (CID 19915894) is 2-(dimethylamino)ethyl-dimethyl-[2-oxo-2-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]ethyl]azanium.
What is the SMILES notation for 2-(dimethylamino)ethyl-dimethyl-[2-oxo-2-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]ethyl]azanium?
The canonical SMILES for 2-(dimethylamino)ethyl-dimethyl-[2-oxo-2-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]ethyl]azanium is CN(C)CC[N+](C)(C)CC(=O)O[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C.
What is the InChIKey of 2-(dimethylamino)ethyl-dimethyl-[2-oxo-2-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]ethyl]azanium?
The InChIKey is BVKFXPKXEGSBAJ-IIDMSEBBSA-N. The full InChI is InChI=1S/C18H35N2O2/c1-17(2)14-8-9-18(17,3)15(12-14)22-16(21)13-20(6,7)11-10-19(4)5/h14-15H,8-13H2,1-7H3/q+1/t14-,15-,18-/m1/s1.
What are the key properties of 2-(dimethylamino)ethyl-dimethyl-[2-oxo-2-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]ethyl]azanium?
2-(dimethylamino)ethyl-dimethyl-[2-oxo-2-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]ethyl]azanium has a molecular weight of 311.49 g/mol, XLogP of 2.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl-dimethyl-[2-oxo-2-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]ethyl]azanium is sourced from PubChem (CID 19915894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).