N-ethyl-1-(oxan-4-yloxy)pentan-2-amine

C12H25NO2 — CID 62043214

IUPACN-ethyl-1-(oxan-4-yloxy)pentan-2-amine
SMILESCCCC(COC1CCOCC1)NCC
InChIInChI=1S/C12H25NO2/c1-3-5-11(13-4-2)10-15-12-6-8-14-9-7-12/h11-13H,3-10H2,1-2H3
InChIKeyWUKUOVAGAQGMEM-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.96
Rot. Bonds7

About N-ethyl-1-(oxan-4-yloxy)pentan-2-amine

N-ethyl-1-(oxan-4-yloxy)pentan-2-amine (PubChem CID 62043214) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is N-ethyl-1-(oxan-4-yloxy)pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(oxan-4-yloxy)pentan-2-amine
PubChem CID62043214
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC NameN-ethyl-1-(oxan-4-yloxy)pentan-2-amine
SMILESCCCC(COC1CCOCC1)NCC
InChIInChI=1S/C12H25NO2/c1-3-5-11(13-4-2)10-15-12-6-8-14-9-7-12/h11-13H,3-10H2,1-2H3
InChIKeyWUKUOVAGAQGMEM-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(oxan-4-yloxy)pentan-2-amine?
The IUPAC name of N-ethyl-1-(oxan-4-yloxy)pentan-2-amine (CID 62043214) is N-ethyl-1-(oxan-4-yloxy)pentan-2-amine.
What is the SMILES notation for N-ethyl-1-(oxan-4-yloxy)pentan-2-amine?
The canonical SMILES for N-ethyl-1-(oxan-4-yloxy)pentan-2-amine is CCCC(COC1CCOCC1)NCC.
What is the InChIKey of N-ethyl-1-(oxan-4-yloxy)pentan-2-amine?
The InChIKey is WUKUOVAGAQGMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-3-5-11(13-4-2)10-15-12-6-8-14-9-7-12/h11-13H,3-10H2,1-2H3.
What are the key properties of N-ethyl-1-(oxan-4-yloxy)pentan-2-amine?
N-ethyl-1-(oxan-4-yloxy)pentan-2-amine has a molecular weight of 215.34 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(oxan-4-yloxy)pentan-2-amine is sourced from PubChem (CID 62043214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).