1-(1-ethylperoxyethoxy)ethanamine

C6H15NO3 — CID 174988103

IUPAC1-(1-ethylperoxyethoxy)ethanamine
SMILESCCOOC(C)OC(C)N
InChIInChI=1S/C6H15NO3/c1-4-8-10-6(3)9-5(2)7/h5-6H,4,7H2,1-3H3
InChIKeyWWUKWFVAKNPJHU-UHFFFAOYSA-N
MW149.19 g/mol
LogP0.62
Rot. Bonds5

About 1-(1-ethylperoxyethoxy)ethanamine

1-(1-ethylperoxyethoxy)ethanamine (PubChem CID 174988103) has the molecular formula C6H15NO3 and a molecular weight of 149.19 g/mol. Its IUPAC name is 1-(1-ethylperoxyethoxy)ethanamine.

Molecular Properties

Compound Name1-(1-ethylperoxyethoxy)ethanamine
PubChem CID174988103
Molecular FormulaC6H15NO3
Molecular Weight149.19 g/mol
Exact Mass149.11
IUPAC Name1-(1-ethylperoxyethoxy)ethanamine
SMILESCCOOC(C)OC(C)N
InChIInChI=1S/C6H15NO3/c1-4-8-10-6(3)9-5(2)7/h5-6H,4,7H2,1-3H3
InChIKeyWWUKWFVAKNPJHU-UHFFFAOYSA-N
XLogP0.62
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

1-(1-ethylperoxyethylperoxy)-1-hydroperoxyethane
CID 175084292
(2S)-2-(1-aminoethoxy)propan-1-ol
CID 142604157
O-hexan-2-ylhydroxylamine;1-(1-methoxyethoxy)ethanamine
CID 89466320
1,1-diethoxyethane
CID 7765
1-diethoxyphosphorylethanamine
CID 5149858
2-(1-aminoethoxy)-1-ethoxyethanamine
CID 87667813
3-(2-aminopentan-3-yloxy)pentan-2-amine
CID 175582089
(2S)-3-ethoxybutan-2-amine
CID 64712582
(2S)-2-[(1R)-1-ethoxyethoxy]propan-1-ol
CID 101001545
1-(1-methoxyethoxy)butan-1-amine
CID 19838576
1-[1-aminoethyl(ethoxy)phosphoryl]ethanamine;hydrochloride
CID 22415619
(3R,4R,5R,6S)-3,6-dimethyloctane-4,5-diamine
CID 101057431

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylperoxyethoxy)ethanamine?
The IUPAC name of 1-(1-ethylperoxyethoxy)ethanamine (CID 174988103) is 1-(1-ethylperoxyethoxy)ethanamine.
What is the SMILES notation for 1-(1-ethylperoxyethoxy)ethanamine?
The canonical SMILES for 1-(1-ethylperoxyethoxy)ethanamine is CCOOC(C)OC(C)N.
What is the InChIKey of 1-(1-ethylperoxyethoxy)ethanamine?
The InChIKey is WWUKWFVAKNPJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO3/c1-4-8-10-6(3)9-5(2)7/h5-6H,4,7H2,1-3H3.
What are the key properties of 1-(1-ethylperoxyethoxy)ethanamine?
1-(1-ethylperoxyethoxy)ethanamine has a molecular weight of 149.19 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylperoxyethoxy)ethanamine is sourced from PubChem (CID 174988103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).