1-(1-azabicyclo[2.2.2]octan-4-yl)-N-methoxymethanimine;hydrochloride

C9H17ClN2O — CID 86744770

IUPAC1-(1-azabicyclo[2.2.2]octan-4-yl)-N-methoxymethanimine;hydrochloride
SMILESCON=CC12CCN(CC1)CC2.Cl
InChIInChI=1S/C9H16N2O.ClH/c1-12-10-8-9-2-5-11(6-3-9)7-4-9;/h8H,2-7H2,1H3;1H
InChIKeyNSVBMWXWZMZRFL-UHFFFAOYSA-N
MW204.70 g/mol
LogP1.53
Rot. Bonds2

About 1-(1-azabicyclo[2.2.2]octan-4-yl)-N-methoxymethanimine;hydrochloride

1-(1-azabicyclo[2.2.2]octan-4-yl)-N-methoxymethanimine;hydrochloride (PubChem CID 86744770) has the molecular formula C9H17ClN2O and a molecular weight of 204.70 g/mol. Its IUPAC name is 1-(1-azabicyclo[2.2.2]octan-4-yl)-N-methoxymethanimine;hydrochloride.

Molecular Properties

Compound Name1-(1-azabicyclo[2.2.2]octan-4-yl)-N-methoxymethanimine;hydrochloride
PubChem CID86744770
Molecular FormulaC9H17ClN2O
Molecular Weight204.70 g/mol
Exact Mass204.10
IUPAC Name1-(1-azabicyclo[2.2.2]octan-4-yl)-N-methoxymethanimine;hydrochloride
SMILESCON=CC12CCN(CC1)CC2.Cl
InChIInChI=1S/C9H16N2O.ClH/c1-12-10-8-9-2-5-11(6-3-9)7-4-9;/h8H,2-7H2,1H3;1H
InChIKeyNSVBMWXWZMZRFL-UHFFFAOYSA-N
XLogP1.53
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.70
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-azabicyclo[2.2.2]octan-4-yl)-N-methoxymethanimine;hydrochloride?
The IUPAC name of 1-(1-azabicyclo[2.2.2]octan-4-yl)-N-methoxymethanimine;hydrochloride (CID 86744770) is 1-(1-azabicyclo[2.2.2]octan-4-yl)-N-methoxymethanimine;hydrochloride.
What is the SMILES notation for 1-(1-azabicyclo[2.2.2]octan-4-yl)-N-methoxymethanimine;hydrochloride?
The canonical SMILES for 1-(1-azabicyclo[2.2.2]octan-4-yl)-N-methoxymethanimine;hydrochloride is CON=CC12CCN(CC1)CC2.Cl.
What is the InChIKey of 1-(1-azabicyclo[2.2.2]octan-4-yl)-N-methoxymethanimine;hydrochloride?
The InChIKey is NSVBMWXWZMZRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O.ClH/c1-12-10-8-9-2-5-11(6-3-9)7-4-9;/h8H,2-7H2,1H3;1H.
What are the key properties of 1-(1-azabicyclo[2.2.2]octan-4-yl)-N-methoxymethanimine;hydrochloride?
1-(1-azabicyclo[2.2.2]octan-4-yl)-N-methoxymethanimine;hydrochloride has a molecular weight of 204.70 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-azabicyclo[2.2.2]octan-4-yl)-N-methoxymethanimine;hydrochloride is sourced from PubChem (CID 86744770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).