3-ethoxy-N-ethyl-1-(oxan-3-yl)propan-1-amine

C12H25NO2 — CID 107137018

IUPAC3-ethoxy-N-ethyl-1-(oxan-3-yl)propan-1-amine
SMILESCCNC(CCOCC)C1CCCOC1
InChIInChI=1S/C12H25NO2/c1-3-13-12(7-9-14-4-2)11-6-5-8-15-10-11/h11-13H,3-10H2,1-2H3
InChIKeyHJNBZKOFFFXLEK-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.82
Rot. Bonds7

About 3-ethoxy-N-ethyl-1-(oxan-3-yl)propan-1-amine

3-ethoxy-N-ethyl-1-(oxan-3-yl)propan-1-amine (PubChem CID 107137018) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-ethoxy-N-ethyl-1-(oxan-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-ethyl-1-(oxan-3-yl)propan-1-amine
PubChem CID107137018
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name3-ethoxy-N-ethyl-1-(oxan-3-yl)propan-1-amine
SMILESCCNC(CCOCC)C1CCCOC1
InChIInChI=1S/C12H25NO2/c1-3-13-12(7-9-14-4-2)11-6-5-8-15-10-11/h11-13H,3-10H2,1-2H3
InChIKeyHJNBZKOFFFXLEK-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-1-(oxan-3-yl)-3-propoxypropan-1-amine
CID 107138944
N-ethyl-1-(oxan-3-yl)pentan-1-amine
CID 65331760
3-(ethylamino)-3-(oxan-3-yl)propan-1-ol
CID 65239845
N-ethyl-1-(oxan-3-yl)-2-(oxan-4-yl)ethanamine
CID 65331868
N-ethyl-3-methoxy-3-methyl-1-(oxan-3-yl)butan-1-amine
CID 107138800
3-ethoxy-N-ethyl-1-(3-ethylcyclohexyl)propan-1-amine
CID 105156239
N-ethyl-1-(oxolan-3-yl)pentan-1-amine
CID 65330630
N-(2-ethoxyethyl)-1-(oxolan-3-yl)propan-1-amine
CID 115709966
N-ethyl-1-(oxolan-3-yl)-2-propoxyethanamine
CID 63564947
2-(1-adamantyl)-N-ethyl-1-(oxan-3-yl)ethanamine
CID 107139110
3-butoxy-1-cyclohexyl-N-ethylpropan-1-amine
CID 55095359
N-(3-ethoxypropyl)-1-(oxolan-3-yl)propan-1-amine
CID 115704270

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-ethyl-1-(oxan-3-yl)propan-1-amine?
The IUPAC name of 3-ethoxy-N-ethyl-1-(oxan-3-yl)propan-1-amine (CID 107137018) is 3-ethoxy-N-ethyl-1-(oxan-3-yl)propan-1-amine.
What is the SMILES notation for 3-ethoxy-N-ethyl-1-(oxan-3-yl)propan-1-amine?
The canonical SMILES for 3-ethoxy-N-ethyl-1-(oxan-3-yl)propan-1-amine is CCNC(CCOCC)C1CCCOC1.
What is the InChIKey of 3-ethoxy-N-ethyl-1-(oxan-3-yl)propan-1-amine?
The InChIKey is HJNBZKOFFFXLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-3-13-12(7-9-14-4-2)11-6-5-8-15-10-11/h11-13H,3-10H2,1-2H3.
What are the key properties of 3-ethoxy-N-ethyl-1-(oxan-3-yl)propan-1-amine?
3-ethoxy-N-ethyl-1-(oxan-3-yl)propan-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 3-ethoxy-N-ethyl-1-(oxan-3-yl)propan-1-amine is sourced from PubChem (CID 107137018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).