2-ethoxy-1-(oxolan-3-yl)-N-propylpropan-1-amine

C12H25NO2 — CID 64533804

IUPAC2-ethoxy-1-(oxolan-3-yl)-N-propylpropan-1-amine
SMILESCCCNC(C1CCOC1)C(C)OCC
InChIInChI=1S/C12H25NO2/c1-4-7-13-12(10(3)15-5-2)11-6-8-14-9-11/h10-13H,4-9H2,1-3H3
InChIKeyMXIBGOXTHZBNIW-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.82
Rot. Bonds7

About 2-ethoxy-1-(oxolan-3-yl)-N-propylpropan-1-amine

2-ethoxy-1-(oxolan-3-yl)-N-propylpropan-1-amine (PubChem CID 64533804) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-ethoxy-1-(oxolan-3-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-ethoxy-1-(oxolan-3-yl)-N-propylpropan-1-amine
PubChem CID64533804
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name2-ethoxy-1-(oxolan-3-yl)-N-propylpropan-1-amine
SMILESCCCNC(C1CCOC1)C(C)OCC
InChIInChI=1S/C12H25NO2/c1-4-7-13-12(10(3)15-5-2)11-6-8-14-9-11/h10-13H,4-9H2,1-3H3
InChIKeyMXIBGOXTHZBNIW-UHFFFAOYSA-N
XLogP1.82
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(oxolan-3-yl)-N-propylpropan-1-amine?
The IUPAC name of 2-ethoxy-1-(oxolan-3-yl)-N-propylpropan-1-amine (CID 64533804) is 2-ethoxy-1-(oxolan-3-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 2-ethoxy-1-(oxolan-3-yl)-N-propylpropan-1-amine?
The canonical SMILES for 2-ethoxy-1-(oxolan-3-yl)-N-propylpropan-1-amine is CCCNC(C1CCOC1)C(C)OCC.
What is the InChIKey of 2-ethoxy-1-(oxolan-3-yl)-N-propylpropan-1-amine?
The InChIKey is MXIBGOXTHZBNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-4-7-13-12(10(3)15-5-2)11-6-8-14-9-11/h10-13H,4-9H2,1-3H3.
What are the key properties of 2-ethoxy-1-(oxolan-3-yl)-N-propylpropan-1-amine?
2-ethoxy-1-(oxolan-3-yl)-N-propylpropan-1-amine has a molecular weight of 215.34 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(oxolan-3-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 64533804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).