N,N-diethylethanamine;3-methyloxet-2-one

C10H19NO2 — CID 67689525

IUPACN,N-diethylethanamine;3-methyloxet-2-one
SMILESCC1=COC1=O.CCN(CC)CC
InChIInChI=1S/C6H15N.C4H4O2/c1-4-7(5-2)6-3;1-3-2-6-4(3)5/h4-6H2,1-3H3;2H,1H3
InChIKeyUUJHBOURDUISDJ-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.80
Rot. Bonds3

About N,N-diethylethanamine;3-methyloxet-2-one

N,N-diethylethanamine;3-methyloxet-2-one (PubChem CID 67689525) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is N,N-diethylethanamine;3-methyloxet-2-one.

Molecular Properties

Compound NameN,N-diethylethanamine;3-methyloxet-2-one
PubChem CID67689525
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC NameN,N-diethylethanamine;3-methyloxet-2-one
SMILESCC1=COC1=O.CCN(CC)CC
InChIInChI=1S/C6H15N.C4H4O2/c1-4-7(5-2)6-3;1-3-2-6-4(3)5/h4-6H2,1-3H3;2H,1H3
InChIKeyUUJHBOURDUISDJ-UHFFFAOYSA-N
XLogP1.80
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethylethanamine;3-methyloxet-2-one?
The IUPAC name of N,N-diethylethanamine;3-methyloxet-2-one (CID 67689525) is N,N-diethylethanamine;3-methyloxet-2-one.
What is the SMILES notation for N,N-diethylethanamine;3-methyloxet-2-one?
The canonical SMILES for N,N-diethylethanamine;3-methyloxet-2-one is CC1=COC1=O.CCN(CC)CC.
What is the InChIKey of N,N-diethylethanamine;3-methyloxet-2-one?
The InChIKey is UUJHBOURDUISDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C4H4O2/c1-4-7(5-2)6-3;1-3-2-6-4(3)5/h4-6H2,1-3H3;2H,1H3.
What are the key properties of N,N-diethylethanamine;3-methyloxet-2-one?
N,N-diethylethanamine;3-methyloxet-2-one has a molecular weight of 185.27 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylethanamine;3-methyloxet-2-one is sourced from PubChem (CID 67689525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).