(2-methoxy-7-bicyclo[2.2.1]heptanyl)-trimethylazanium

C11H22NO+ — CID 58580033

IUPAC(2-methoxy-7-bicyclo[2.2.1]heptanyl)-trimethylazanium
SMILESCOC1CC2CCC1C2[N+](C)(C)C
InChIInChI=1S/C11H22NO/c1-12(2,3)11-8-5-6-9(11)10(7-8)13-4/h8-11H,5-7H2,1-4H3/q+1
InChIKeyCPERJLBPDJCRSL-UHFFFAOYSA-N
MW184.30 g/mol
LogP1.51
Rot. Bonds2

About (2-methoxy-7-bicyclo[2.2.1]heptanyl)-trimethylazanium

(2-methoxy-7-bicyclo[2.2.1]heptanyl)-trimethylazanium (PubChem CID 58580033) has the molecular formula C11H22NO+ and a molecular weight of 184.30 g/mol. Its IUPAC name is (2-methoxy-7-bicyclo[2.2.1]heptanyl)-trimethylazanium.

Molecular Properties

Compound Name(2-methoxy-7-bicyclo[2.2.1]heptanyl)-trimethylazanium
PubChem CID58580033
Molecular FormulaC11H22NO+
Molecular Weight184.30 g/mol
Exact Mass184.17
IUPAC Name(2-methoxy-7-bicyclo[2.2.1]heptanyl)-trimethylazanium
SMILESCOC1CC2CCC1C2[N+](C)(C)C
InChIInChI=1S/C11H22NO/c1-12(2,3)11-8-5-6-9(11)10(7-8)13-4/h8-11H,5-7H2,1-4H3/q+1
InChIKeyCPERJLBPDJCRSL-UHFFFAOYSA-N
XLogP1.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.30
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (2-methoxy-7-bicyclo[2.2.1]heptanyl)-trimethylazanium?
The IUPAC name of (2-methoxy-7-bicyclo[2.2.1]heptanyl)-trimethylazanium (CID 58580033) is (2-methoxy-7-bicyclo[2.2.1]heptanyl)-trimethylazanium.
What is the SMILES notation for (2-methoxy-7-bicyclo[2.2.1]heptanyl)-trimethylazanium?
The canonical SMILES for (2-methoxy-7-bicyclo[2.2.1]heptanyl)-trimethylazanium is COC1CC2CCC1C2[N+](C)(C)C.
What is the InChIKey of (2-methoxy-7-bicyclo[2.2.1]heptanyl)-trimethylazanium?
The InChIKey is CPERJLBPDJCRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22NO/c1-12(2,3)11-8-5-6-9(11)10(7-8)13-4/h8-11H,5-7H2,1-4H3/q+1.
What are the key properties of (2-methoxy-7-bicyclo[2.2.1]heptanyl)-trimethylazanium?
(2-methoxy-7-bicyclo[2.2.1]heptanyl)-trimethylazanium has a molecular weight of 184.30 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-7-bicyclo[2.2.1]heptanyl)-trimethylazanium is sourced from PubChem (CID 58580033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).