4-[2-(tert-butylamino)ethyl]morpholin-3-one

C10H20N2O2 — CID 79468120

IUPAC4-[2-(tert-butylamino)ethyl]morpholin-3-one
SMILESCC(C)(C)NCCN1CCOCC1=O
InChIInChI=1S/C10H20N2O2/c1-10(2,3)11-4-5-12-6-7-14-8-9(12)13/h11H,4-8H2,1-3H3
InChIKeyHBZMHQMVQMBGFD-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.23
Rot. Bonds3

About 4-[2-(tert-butylamino)ethyl]morpholin-3-one

4-[2-(tert-butylamino)ethyl]morpholin-3-one (PubChem CID 79468120) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 4-[2-(tert-butylamino)ethyl]morpholin-3-one.

Molecular Properties

Compound Name4-[2-(tert-butylamino)ethyl]morpholin-3-one
PubChem CID79468120
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name4-[2-(tert-butylamino)ethyl]morpholin-3-one
SMILESCC(C)(C)NCCN1CCOCC1=O
InChIInChI=1S/C10H20N2O2/c1-10(2,3)11-4-5-12-6-7-14-8-9(12)13/h11H,4-8H2,1-3H3
InChIKeyHBZMHQMVQMBGFD-UHFFFAOYSA-N
XLogP0.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(tert-butylamino)ethyl]morpholin-3-one?
The IUPAC name of 4-[2-(tert-butylamino)ethyl]morpholin-3-one (CID 79468120) is 4-[2-(tert-butylamino)ethyl]morpholin-3-one.
What is the SMILES notation for 4-[2-(tert-butylamino)ethyl]morpholin-3-one?
The canonical SMILES for 4-[2-(tert-butylamino)ethyl]morpholin-3-one is CC(C)(C)NCCN1CCOCC1=O.
What is the InChIKey of 4-[2-(tert-butylamino)ethyl]morpholin-3-one?
The InChIKey is HBZMHQMVQMBGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-10(2,3)11-4-5-12-6-7-14-8-9(12)13/h11H,4-8H2,1-3H3.
What are the key properties of 4-[2-(tert-butylamino)ethyl]morpholin-3-one?
4-[2-(tert-butylamino)ethyl]morpholin-3-one has a molecular weight of 200.28 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(tert-butylamino)ethyl]morpholin-3-one is sourced from PubChem (CID 79468120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).