2-(4-methyl-1,3-dioxetan-2-yl)ethanamine

C5H11NO2 — CID 68643543

IUPAC2-(4-methyl-1,3-dioxetan-2-yl)ethanamine
SMILESCC1OC(CCN)O1
InChIInChI=1S/C5H11NO2/c1-4-7-5(8-4)2-3-6/h4-5H,2-3,6H2,1H3
InChIKeyBBYPNEOWXRFDFU-UHFFFAOYSA-N
MW117.15 g/mol
LogP0.05
Rot. Bonds2

About 2-(4-methyl-1,3-dioxetan-2-yl)ethanamine

2-(4-methyl-1,3-dioxetan-2-yl)ethanamine (PubChem CID 68643543) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is 2-(4-methyl-1,3-dioxetan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-methyl-1,3-dioxetan-2-yl)ethanamine
PubChem CID68643543
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name2-(4-methyl-1,3-dioxetan-2-yl)ethanamine
SMILESCC1OC(CCN)O1
InChIInChI=1S/C5H11NO2/c1-4-7-5(8-4)2-3-6/h4-5H,2-3,6H2,1H3
InChIKeyBBYPNEOWXRFDFU-UHFFFAOYSA-N
XLogP0.05
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 ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,3-dioxetan-2-yl)ethanamine?
The IUPAC name of 2-(4-methyl-1,3-dioxetan-2-yl)ethanamine (CID 68643543) is 2-(4-methyl-1,3-dioxetan-2-yl)ethanamine.
What is the SMILES notation for 2-(4-methyl-1,3-dioxetan-2-yl)ethanamine?
The canonical SMILES for 2-(4-methyl-1,3-dioxetan-2-yl)ethanamine is CC1OC(CCN)O1.
What is the InChIKey of 2-(4-methyl-1,3-dioxetan-2-yl)ethanamine?
The InChIKey is BBYPNEOWXRFDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2/c1-4-7-5(8-4)2-3-6/h4-5H,2-3,6H2,1H3.
What are the key properties of 2-(4-methyl-1,3-dioxetan-2-yl)ethanamine?
2-(4-methyl-1,3-dioxetan-2-yl)ethanamine has a molecular weight of 117.15 g/mol, XLogP of 0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,3-dioxetan-2-yl)ethanamine is sourced from PubChem (CID 68643543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).