3-methoxyoxetan-3-amine;hydrochloride

C4H10ClNO2 — CID 175161306

IUPAC3-methoxyoxetan-3-amine;hydrochloride
SMILESCOC1(N)COC1.Cl
InChIInChI=1S/C4H9NO2.ClH/c1-6-4(5)2-7-3-4;/h2-3,5H2,1H3;1H
InChIKeyMVTXWFQMNOERKN-UHFFFAOYSA-N
MW139.58 g/mol
LogP-0.26
Rot. Bonds1

About 3-methoxyoxetan-3-amine;hydrochloride

3-methoxyoxetan-3-amine;hydrochloride (PubChem CID 175161306) has the molecular formula C4H10ClNO2 and a molecular weight of 139.58 g/mol. Its IUPAC name is 3-methoxyoxetan-3-amine;hydrochloride.

Molecular Properties

Compound Name3-methoxyoxetan-3-amine;hydrochloride
PubChem CID175161306
Molecular FormulaC4H10ClNO2
Molecular Weight139.58 g/mol
Exact Mass139.04
IUPAC Name3-methoxyoxetan-3-amine;hydrochloride
SMILESCOC1(N)COC1.Cl
InChIInChI=1S/C4H9NO2.ClH/c1-6-4(5)2-7-3-4;/h2-3,5H2,1H3;1H
InChIKeyMVTXWFQMNOERKN-UHFFFAOYSA-N
XLogP-0.26
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.58
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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CID 175196823
3-(iodomethyl)-3-methoxyoxetane
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3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxetan-3-amine
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4-(3-methoxyoxetan-3-yl)aniline
CID 90422102
6-tert-butyl-6-methoxy-2-oxaspiro[3.3]heptane
CID 162475470
N-methoxy-1-(3-methyloxetan-3-yl)methanamine;hydrochloride
CID 102571545
2-[3-(methoxymethyl)oxetan-3-yl]ethanamine
CID 83904976
3-(4-methylphenyl)oxetan-3-amine;hydrochloride
CID 53257004
2-(3-methoxyoxetan-3-yl)-5-methyl-1H-imidazole
CID 141388655
(2S,5R)-2,5-dimethoxy-2,5-dimethyl-1,4-dioxane
CID 738898
2-methoxyoxiran-2-ol
CID 123437916
3-(methoxymethyl)oxetan-3-ol
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Frequently Asked Questions

What is the IUPAC name of 3-methoxyoxetan-3-amine;hydrochloride?
The IUPAC name of 3-methoxyoxetan-3-amine;hydrochloride (CID 175161306) is 3-methoxyoxetan-3-amine;hydrochloride.
What is the SMILES notation for 3-methoxyoxetan-3-amine;hydrochloride?
The canonical SMILES for 3-methoxyoxetan-3-amine;hydrochloride is COC1(N)COC1.Cl.
What is the InChIKey of 3-methoxyoxetan-3-amine;hydrochloride?
The InChIKey is MVTXWFQMNOERKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2.ClH/c1-6-4(5)2-7-3-4;/h2-3,5H2,1H3;1H.
What are the key properties of 3-methoxyoxetan-3-amine;hydrochloride?
3-methoxyoxetan-3-amine;hydrochloride has a molecular weight of 139.58 g/mol, XLogP of -0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxyoxetan-3-amine;hydrochloride is sourced from PubChem (CID 175161306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).