1-(methoxymethyl)-2-oxabicyclo[2.2.2]octan-4-amine;hydrochloride

C9H18ClNO2 — CID 154856939

IUPAC1-(methoxymethyl)-2-oxabicyclo[2.2.2]octan-4-amine;hydrochloride
SMILESCOCC12CCC(N)(CC1)CO2.Cl
InChIInChI=1S/C9H17NO2.ClH/c1-11-7-9-4-2-8(10,3-5-9)6-12-9;/h2-7,10H2,1H3;1H
InChIKeyRUCLZYSIJYDGMP-UHFFFAOYSA-N
MW207.70 g/mol
LogP1.10
Rot. Bonds2

About 1-(methoxymethyl)-2-oxabicyclo[2.2.2]octan-4-amine;hydrochloride

1-(methoxymethyl)-2-oxabicyclo[2.2.2]octan-4-amine;hydrochloride (PubChem CID 154856939) has the molecular formula C9H18ClNO2 and a molecular weight of 207.70 g/mol. Its IUPAC name is 1-(methoxymethyl)-2-oxabicyclo[2.2.2]octan-4-amine;hydrochloride.

Molecular Properties

Compound Name1-(methoxymethyl)-2-oxabicyclo[2.2.2]octan-4-amine;hydrochloride
PubChem CID154856939
Molecular FormulaC9H18ClNO2
Molecular Weight207.70 g/mol
Exact Mass207.10
IUPAC Name1-(methoxymethyl)-2-oxabicyclo[2.2.2]octan-4-amine;hydrochloride
SMILESCOCC12CCC(N)(CC1)CO2.Cl
InChIInChI=1S/C9H17NO2.ClH/c1-11-7-9-4-2-8(10,3-5-9)6-12-9;/h2-7,10H2,1H3;1H
InChIKeyRUCLZYSIJYDGMP-UHFFFAOYSA-N
XLogP1.10
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-propyl-2-oxabicyclo[2.2.2]octan-4-amine
CID 123911016
(1R,5S)-1,5-bis(methoxymethyl)-8-oxabicyclo[3.2.1]octane
CID 122546546
1-ethyl-1-(methoxymethyl)cyclopropane
CID 23568583
2-methoxy-2-(methoxymethyl)oxirane
CID 172789195
[4-(methoxymethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanol
CID 138039579
[3-(methoxymethyl)oxolan-3-yl]methanamine
CID 83904977
1-[2-(3,8-difluoro-6-methoxyquinolin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-amine
CID 71151120
2-[3-(methoxymethyl)oxetan-3-yl]ethanamine
CID 83904976
1-methyl-2-oxabicyclo[2.2.1]heptan-4-amine
CID 138040399
3-(methoxymethyl)-2-methyloxolan-3-amine
CID 114535350
5,5-bis(methoxymethyl)-1,3,2-dioxathiane 2,2-dioxide
CID 153021979
3-(methoxymethyl)oxetane-3-carbaldehyde
CID 167724786

Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-2-oxabicyclo[2.2.2]octan-4-amine;hydrochloride?
The IUPAC name of 1-(methoxymethyl)-2-oxabicyclo[2.2.2]octan-4-amine;hydrochloride (CID 154856939) is 1-(methoxymethyl)-2-oxabicyclo[2.2.2]octan-4-amine;hydrochloride.
What is the SMILES notation for 1-(methoxymethyl)-2-oxabicyclo[2.2.2]octan-4-amine;hydrochloride?
The canonical SMILES for 1-(methoxymethyl)-2-oxabicyclo[2.2.2]octan-4-amine;hydrochloride is COCC12CCC(N)(CC1)CO2.Cl.
What is the InChIKey of 1-(methoxymethyl)-2-oxabicyclo[2.2.2]octan-4-amine;hydrochloride?
The InChIKey is RUCLZYSIJYDGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2.ClH/c1-11-7-9-4-2-8(10,3-5-9)6-12-9;/h2-7,10H2,1H3;1H.
What are the key properties of 1-(methoxymethyl)-2-oxabicyclo[2.2.2]octan-4-amine;hydrochloride?
1-(methoxymethyl)-2-oxabicyclo[2.2.2]octan-4-amine;hydrochloride has a molecular weight of 207.70 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-2-oxabicyclo[2.2.2]octan-4-amine;hydrochloride is sourced from PubChem (CID 154856939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).