4-(aminomethyl)-4-(diethylamino)-1,3-dioxetan-2-one

C7H14N2O3 — CID 166060566

IUPAC4-(aminomethyl)-4-(diethylamino)-1,3-dioxetan-2-one
SMILESCCN(CC)C1(CN)OC(=O)O1
InChIInChI=1S/C7H14N2O3/c1-3-9(4-2)7(5-8)11-6(10)12-7/h3-5,8H2,1-2H3
InChIKeyAPVPCLGBYPTXTH-UHFFFAOYSA-N
MW174.20 g/mol
LogP0.11
Rot. Bonds4

About 4-(aminomethyl)-4-(diethylamino)-1,3-dioxetan-2-one

4-(aminomethyl)-4-(diethylamino)-1,3-dioxetan-2-one (PubChem CID 166060566) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is 4-(aminomethyl)-4-(diethylamino)-1,3-dioxetan-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-4-(diethylamino)-1,3-dioxetan-2-one
PubChem CID166060566
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Name4-(aminomethyl)-4-(diethylamino)-1,3-dioxetan-2-one
SMILESCCN(CC)C1(CN)OC(=O)O1
InChIInChI=1S/C7H14N2O3/c1-3-9(4-2)7(5-8)11-6(10)12-7/h3-5,8H2,1-2H3
InChIKeyAPVPCLGBYPTXTH-UHFFFAOYSA-N
XLogP0.11
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-4-(diethylamino)-1,3-dioxetan-2-one?
The IUPAC name of 4-(aminomethyl)-4-(diethylamino)-1,3-dioxetan-2-one (CID 166060566) is 4-(aminomethyl)-4-(diethylamino)-1,3-dioxetan-2-one.
What is the SMILES notation for 4-(aminomethyl)-4-(diethylamino)-1,3-dioxetan-2-one?
The canonical SMILES for 4-(aminomethyl)-4-(diethylamino)-1,3-dioxetan-2-one is CCN(CC)C1(CN)OC(=O)O1.
What is the InChIKey of 4-(aminomethyl)-4-(diethylamino)-1,3-dioxetan-2-one?
The InChIKey is APVPCLGBYPTXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3/c1-3-9(4-2)7(5-8)11-6(10)12-7/h3-5,8H2,1-2H3.
What are the key properties of 4-(aminomethyl)-4-(diethylamino)-1,3-dioxetan-2-one?
4-(aminomethyl)-4-(diethylamino)-1,3-dioxetan-2-one has a molecular weight of 174.20 g/mol, XLogP of 0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-4-(diethylamino)-1,3-dioxetan-2-one is sourced from PubChem (CID 166060566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).