(3-methoxyoxetan-3-yl)methanamine

C5H11NO2 — CID 83904785

IUPAC(3-methoxyoxetan-3-yl)methanamine
SMILESCOC1(CN)COC1
InChIInChI=1S/C5H11NO2/c1-7-5(2-6)3-8-4-5/h2-4,6H2,1H3
InChIKeyNFVKWJHBOZALKW-UHFFFAOYSA-N
MW117.15 g/mol
LogP-0.64
Rot. Bonds2

About (3-methoxyoxetan-3-yl)methanamine

(3-methoxyoxetan-3-yl)methanamine (PubChem CID 83904785) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is (3-methoxyoxetan-3-yl)methanamine.

Molecular Properties

Compound Name(3-methoxyoxetan-3-yl)methanamine
PubChem CID83904785
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name(3-methoxyoxetan-3-yl)methanamine
SMILESCOC1(CN)COC1
InChIInChI=1S/C5H11NO2/c1-7-5(2-6)3-8-4-5/h2-4,6H2,1H3
InChIKeyNFVKWJHBOZALKW-UHFFFAOYSA-N
XLogP-0.64
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methoxyoxetan-3-yl)methanamine?
The IUPAC name of (3-methoxyoxetan-3-yl)methanamine (CID 83904785) is (3-methoxyoxetan-3-yl)methanamine.
What is the SMILES notation for (3-methoxyoxetan-3-yl)methanamine?
The canonical SMILES for (3-methoxyoxetan-3-yl)methanamine is COC1(CN)COC1.
What is the InChIKey of (3-methoxyoxetan-3-yl)methanamine?
The InChIKey is NFVKWJHBOZALKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2/c1-7-5(2-6)3-8-4-5/h2-4,6H2,1H3.
What are the key properties of (3-methoxyoxetan-3-yl)methanamine?
(3-methoxyoxetan-3-yl)methanamine has a molecular weight of 117.15 g/mol, XLogP of -0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyoxetan-3-yl)methanamine is sourced from PubChem (CID 83904785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).