2-(diethylaminomethyl)oxetan-2-ol

C8H17NO2 — CID 66673153

IUPAC2-(diethylaminomethyl)oxetan-2-ol
SMILESCCN(CC)CC1(O)CCO1
InChIInChI=1S/C8H17NO2/c1-3-9(4-2)7-8(10)5-6-11-8/h10H,3-7H2,1-2H3
InChIKeyAGXYHWNKLRPEFU-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.44
Rot. Bonds4

About 2-(diethylaminomethyl)oxetan-2-ol

2-(diethylaminomethyl)oxetan-2-ol (PubChem CID 66673153) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-(diethylaminomethyl)oxetan-2-ol.

Molecular Properties

Compound Name2-(diethylaminomethyl)oxetan-2-ol
PubChem CID66673153
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name2-(diethylaminomethyl)oxetan-2-ol
SMILESCCN(CC)CC1(O)CCO1
InChIInChI=1S/C8H17NO2/c1-3-9(4-2)7-8(10)5-6-11-8/h10H,3-7H2,1-2H3
InChIKeyAGXYHWNKLRPEFU-UHFFFAOYSA-N
XLogP0.44
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylaminomethyl)oxetan-2-ol?
The IUPAC name of 2-(diethylaminomethyl)oxetan-2-ol (CID 66673153) is 2-(diethylaminomethyl)oxetan-2-ol.
What is the SMILES notation for 2-(diethylaminomethyl)oxetan-2-ol?
The canonical SMILES for 2-(diethylaminomethyl)oxetan-2-ol is CCN(CC)CC1(O)CCO1.
What is the InChIKey of 2-(diethylaminomethyl)oxetan-2-ol?
The InChIKey is AGXYHWNKLRPEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-3-9(4-2)7-8(10)5-6-11-8/h10H,3-7H2,1-2H3.
What are the key properties of 2-(diethylaminomethyl)oxetan-2-ol?
2-(diethylaminomethyl)oxetan-2-ol has a molecular weight of 159.23 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylaminomethyl)oxetan-2-ol is sourced from PubChem (CID 66673153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).