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

C5H11NO2 — CID 89215735

IUPAC1-(4-methyl-1,3-dioxetan-2-yl)ethanamine
SMILESCC1OC(C(C)N)O1
InChIInChI=1S/C5H11NO2/c1-3(6)5-7-4(2)8-5/h3-5H,6H2,1-2H3
InChIKeyHQAPBOPWAVCODY-UHFFFAOYSA-N
MW117.15 g/mol
LogP0.05
Rot. Bonds1

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

1-(4-methyl-1,3-dioxetan-2-yl)ethanamine (PubChem CID 89215735) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is 1-(4-methyl-1,3-dioxetan-2-yl)ethanamine.

Molecular Properties

Compound Name1-(4-methyl-1,3-dioxetan-2-yl)ethanamine
PubChem CID89215735
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name1-(4-methyl-1,3-dioxetan-2-yl)ethanamine
SMILESCC1OC(C(C)N)O1
InChIInChI=1S/C5H11NO2/c1-3(6)5-7-4(2)8-5/h3-5H,6H2,1-2H3
InChIKeyHQAPBOPWAVCODY-UHFFFAOYSA-N
XLogP0.05
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
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 1-(4-methyl-1,3-dioxetan-2-yl)ethanamine?
The IUPAC name of 1-(4-methyl-1,3-dioxetan-2-yl)ethanamine (CID 89215735) is 1-(4-methyl-1,3-dioxetan-2-yl)ethanamine.
What is the SMILES notation for 1-(4-methyl-1,3-dioxetan-2-yl)ethanamine?
The canonical SMILES for 1-(4-methyl-1,3-dioxetan-2-yl)ethanamine is CC1OC(C(C)N)O1.
What is the InChIKey of 1-(4-methyl-1,3-dioxetan-2-yl)ethanamine?
The InChIKey is HQAPBOPWAVCODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2/c1-3(6)5-7-4(2)8-5/h3-5H,6H2,1-2H3.
What are the key properties of 1-(4-methyl-1,3-dioxetan-2-yl)ethanamine?
1-(4-methyl-1,3-dioxetan-2-yl)ethanamine has a molecular weight of 117.15 g/mol, XLogP of 0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,3-dioxetan-2-yl)ethanamine is sourced from PubChem (CID 89215735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).