2-ethyl-2-(oxolan-2-ylmethylamino)butan-1-ol

C11H23NO2 — CID 61048772

IUPAC2-ethyl-2-(oxolan-2-ylmethylamino)butan-1-ol
SMILESCCC(CC)(CO)NCC1CCCO1
InChIInChI=1S/C11H23NO2/c1-3-11(4-2,9-13)12-8-10-6-5-7-14-10/h10,12-13H,3-9H2,1-2H3
InChIKeyMPXXRCNIVUSTKM-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.31
Rot. Bonds6

About 2-ethyl-2-(oxolan-2-ylmethylamino)butan-1-ol

2-ethyl-2-(oxolan-2-ylmethylamino)butan-1-ol (PubChem CID 61048772) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-ethyl-2-(oxolan-2-ylmethylamino)butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-(oxolan-2-ylmethylamino)butan-1-ol
PubChem CID61048772
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name2-ethyl-2-(oxolan-2-ylmethylamino)butan-1-ol
SMILESCCC(CC)(CO)NCC1CCCO1
InChIInChI=1S/C11H23NO2/c1-3-11(4-2,9-13)12-8-10-6-5-7-14-10/h10,12-13H,3-9H2,1-2H3
InChIKeyMPXXRCNIVUSTKM-UHFFFAOYSA-N
XLogP1.31
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(oxolan-2-ylmethylamino)butan-1-ol?
The IUPAC name of 2-ethyl-2-(oxolan-2-ylmethylamino)butan-1-ol (CID 61048772) is 2-ethyl-2-(oxolan-2-ylmethylamino)butan-1-ol.
What is the SMILES notation for 2-ethyl-2-(oxolan-2-ylmethylamino)butan-1-ol?
The canonical SMILES for 2-ethyl-2-(oxolan-2-ylmethylamino)butan-1-ol is CCC(CC)(CO)NCC1CCCO1.
What is the InChIKey of 2-ethyl-2-(oxolan-2-ylmethylamino)butan-1-ol?
The InChIKey is MPXXRCNIVUSTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-3-11(4-2,9-13)12-8-10-6-5-7-14-10/h10,12-13H,3-9H2,1-2H3.
What are the key properties of 2-ethyl-2-(oxolan-2-ylmethylamino)butan-1-ol?
2-ethyl-2-(oxolan-2-ylmethylamino)butan-1-ol has a molecular weight of 201.31 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(oxolan-2-ylmethylamino)butan-1-ol is sourced from PubChem (CID 61048772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).