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

C15H28NO2+ — CID 19915989

IUPACtrimethyl-[2-oxo-2-[[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]ethyl]azanium
SMILESCC1(C)[C@H]2CC[C@@]1(C)[C@@H](OC(=O)C[N+](C)(C)C)C2
InChIInChI=1S/C15H28NO2/c1-14(2)11-7-8-15(14,3)12(9-11)18-13(17)10-16(4,5)6/h11-12H,7-10H2,1-6H3/q+1/t11-,12-,15-/m0/s1
InChIKeyVYQNSMBYUGCTBM-HUBLWGQQSA-N
MW254.39 g/mol
LogP2.45
Rot. Bonds3

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

trimethyl-[2-oxo-2-[[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]ethyl]azanium (PubChem CID 19915989) has the molecular formula C15H28NO2+ and a molecular weight of 254.39 g/mol. Its IUPAC name is trimethyl-[2-oxo-2-[[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]ethyl]azanium.

Molecular Properties

Compound Nametrimethyl-[2-oxo-2-[[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]ethyl]azanium
PubChem CID19915989
Molecular FormulaC15H28NO2+
Molecular Weight254.39 g/mol
Exact Mass254.21
IUPAC Nametrimethyl-[2-oxo-2-[[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]ethyl]azanium
SMILESCC1(C)[C@H]2CC[C@@]1(C)[C@@H](OC(=O)C[N+](C)(C)C)C2
InChIInChI=1S/C15H28NO2/c1-14(2)11-7-8-15(14,3)12(9-11)18-13(17)10-16(4,5)6/h11-12H,7-10H2,1-6H3/q+1/t11-,12-,15-/m0/s1
InChIKeyVYQNSMBYUGCTBM-HUBLWGQQSA-N
XLogP2.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.39
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-oxo-2-[[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]ethyl]azanium?
The IUPAC name of trimethyl-[2-oxo-2-[[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]ethyl]azanium (CID 19915989) is trimethyl-[2-oxo-2-[[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]ethyl]azanium.
What is the SMILES notation for trimethyl-[2-oxo-2-[[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]ethyl]azanium?
The canonical SMILES for trimethyl-[2-oxo-2-[[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]ethyl]azanium is CC1(C)[C@H]2CC[C@@]1(C)[C@@H](OC(=O)C[N+](C)(C)C)C2.
What is the InChIKey of trimethyl-[2-oxo-2-[[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]ethyl]azanium?
The InChIKey is VYQNSMBYUGCTBM-HUBLWGQQSA-N. The full InChI is InChI=1S/C15H28NO2/c1-14(2)11-7-8-15(14,3)12(9-11)18-13(17)10-16(4,5)6/h11-12H,7-10H2,1-6H3/q+1/t11-,12-,15-/m0/s1.
What are the key properties of trimethyl-[2-oxo-2-[[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]ethyl]azanium?
trimethyl-[2-oxo-2-[[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]ethyl]azanium has a molecular weight of 254.39 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-oxo-2-[[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]ethyl]azanium is sourced from PubChem (CID 19915989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).