N-ethylethanamine;hydrogen peroxide

C4H13NO2 — CID 87070577

IUPACN-ethylethanamine;hydrogen peroxide
SMILESCCNCC.OO
InChIInChI=1S/C4H11N.H2O2/c1-3-5-4-2;1-2/h5H,3-4H2,1-2H3;1-2H
InChIKeyFYPWIKJWWVIWJP-UHFFFAOYSA-N
MW107.15 g/mol
LogP0.63
Rot. Bonds2

About N-ethylethanamine;hydrogen peroxide

N-ethylethanamine;hydrogen peroxide (PubChem CID 87070577) has the molecular formula C4H13NO2 and a molecular weight of 107.15 g/mol. Its IUPAC name is N-ethylethanamine;hydrogen peroxide.

Molecular Properties

Compound NameN-ethylethanamine;hydrogen peroxide
PubChem CID87070577
Molecular FormulaC4H13NO2
Molecular Weight107.15 g/mol
Exact Mass107.09
IUPAC NameN-ethylethanamine;hydrogen peroxide
SMILESCCNCC.OO
InChIInChI=1S/C4H11N.H2O2/c1-3-5-4-2;1-2/h5H,3-4H2,1-2H3;1-2H
InChIKeyFYPWIKJWWVIWJP-UHFFFAOYSA-N
XLogP0.63
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.15
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-Ethylethanamine--water (1/1)
CID 71350986
Ethanamine, N-ethyl-, perchlorate (1:1)
CID 167228
Borate(2-), heptaoxotetra-, hydrogen, compd. with N-ethylethanamine (1:2:2)
CID 44152054
Triethylammonium hydroxide
CID 21903323
Diethyl-ammonium hydroxide
CID 21903377
Diethylazanium perchlorate
CID 71435231
N,N-diethylamine oxide dihydrate
CID 129803014
Diethylazanium sulfite
CID 135001964
N-ethylethanamine;sulfurous acid
CID 13000360
hydrogen peroxide;N-propan-2-ylpropan-2-amine
CID 87069926
hydrogen peroxide;N-propylpropan-1-amine
CID 87070039
bis(N-ethylethanamine);hydrogen peroxide
CID 87070576

Frequently Asked Questions

What is the IUPAC name of N-ethylethanamine;hydrogen peroxide?
The IUPAC name of N-ethylethanamine;hydrogen peroxide (CID 87070577) is N-ethylethanamine;hydrogen peroxide.
What is the SMILES notation for N-ethylethanamine;hydrogen peroxide?
The canonical SMILES for N-ethylethanamine;hydrogen peroxide is CCNCC.OO.
What is the InChIKey of N-ethylethanamine;hydrogen peroxide?
The InChIKey is FYPWIKJWWVIWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N.H2O2/c1-3-5-4-2;1-2/h5H,3-4H2,1-2H3;1-2H.
What are the key properties of N-ethylethanamine;hydrogen peroxide?
N-ethylethanamine;hydrogen peroxide has a molecular weight of 107.15 g/mol, XLogP of 0.63, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylethanamine;hydrogen peroxide is sourced from PubChem (CID 87070577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).