N,N-dimethyl-1,3-dioxetan-2-amine

C4H9NO2 — CID 21337108

IUPACN,N-dimethyl-1,3-dioxetan-2-amine
SMILESCN(C)C1OCO1
InChIInChI=1S/C4H9NO2/c1-5(2)4-6-3-7-4/h4H,3H2,1-2H3
InChIKeyQUNWTFIYCMFYFA-UHFFFAOYSA-N
MW103.12 g/mol
LogP-0.16
Rot. Bonds1

About N,N-dimethyl-1,3-dioxetan-2-amine

N,N-dimethyl-1,3-dioxetan-2-amine (PubChem CID 21337108) has the molecular formula C4H9NO2 and a molecular weight of 103.12 g/mol. Its IUPAC name is N,N-dimethyl-1,3-dioxetan-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-1,3-dioxetan-2-amine
PubChem CID21337108
Molecular FormulaC4H9NO2
Molecular Weight103.12 g/mol
Exact Mass103.06
IUPAC NameN,N-dimethyl-1,3-dioxetan-2-amine
SMILESCN(C)C1OCO1
InChIInChI=1S/C4H9NO2/c1-5(2)4-6-3-7-4/h4H,3H2,1-2H3
InChIKeyQUNWTFIYCMFYFA-UHFFFAOYSA-N
XLogP-0.16
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.12
LogP ≤ 5-0.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1,3-dioxetan-2-amine?
The IUPAC name of N,N-dimethyl-1,3-dioxetan-2-amine (CID 21337108) is N,N-dimethyl-1,3-dioxetan-2-amine.
What is the SMILES notation for N,N-dimethyl-1,3-dioxetan-2-amine?
The canonical SMILES for N,N-dimethyl-1,3-dioxetan-2-amine is CN(C)C1OCO1.
What is the InChIKey of N,N-dimethyl-1,3-dioxetan-2-amine?
The InChIKey is QUNWTFIYCMFYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2/c1-5(2)4-6-3-7-4/h4H,3H2,1-2H3.
What are the key properties of N,N-dimethyl-1,3-dioxetan-2-amine?
N,N-dimethyl-1,3-dioxetan-2-amine has a molecular weight of 103.12 g/mol, XLogP of -0.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1,3-dioxetan-2-amine is sourced from PubChem (CID 21337108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).