3-ethoxy-1-(oxan-4-yl)pentan-2-amine

C12H25NO2 — CID 116716257

IUPAC3-ethoxy-1-(oxan-4-yl)pentan-2-amine
SMILESCCOC(CC)C(N)CC1CCOCC1
InChIInChI=1S/C12H25NO2/c1-3-12(15-4-2)11(13)9-10-5-7-14-8-6-10/h10-12H,3-9,13H2,1-2H3
InChIKeyIIKQJQSBNYUSTL-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.95
Rot. Bonds6

About 3-ethoxy-1-(oxan-4-yl)pentan-2-amine

3-ethoxy-1-(oxan-4-yl)pentan-2-amine (PubChem CID 116716257) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-ethoxy-1-(oxan-4-yl)pentan-2-amine.

Molecular Properties

Compound Name3-ethoxy-1-(oxan-4-yl)pentan-2-amine
PubChem CID116716257
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name3-ethoxy-1-(oxan-4-yl)pentan-2-amine
SMILESCCOC(CC)C(N)CC1CCOCC1
InChIInChI=1S/C12H25NO2/c1-3-12(15-4-2)11(13)9-10-5-7-14-8-6-10/h10-12H,3-9,13H2,1-2H3
InChIKeyIIKQJQSBNYUSTL-UHFFFAOYSA-N
XLogP1.95
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-(oxan-4-yl)pentan-2-amine?
The IUPAC name of 3-ethoxy-1-(oxan-4-yl)pentan-2-amine (CID 116716257) is 3-ethoxy-1-(oxan-4-yl)pentan-2-amine.
What is the SMILES notation for 3-ethoxy-1-(oxan-4-yl)pentan-2-amine?
The canonical SMILES for 3-ethoxy-1-(oxan-4-yl)pentan-2-amine is CCOC(CC)C(N)CC1CCOCC1.
What is the InChIKey of 3-ethoxy-1-(oxan-4-yl)pentan-2-amine?
The InChIKey is IIKQJQSBNYUSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-3-12(15-4-2)11(13)9-10-5-7-14-8-6-10/h10-12H,3-9,13H2,1-2H3.
What are the key properties of 3-ethoxy-1-(oxan-4-yl)pentan-2-amine?
3-ethoxy-1-(oxan-4-yl)pentan-2-amine has a molecular weight of 215.34 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-(oxan-4-yl)pentan-2-amine is sourced from PubChem (CID 116716257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).