N,N,N',N'-tetraethylethane-1,2-diamine oxide

C10H24N2O2 — CID 20535654

IUPACN,N,N',N'-tetraethylethane-1,2-diamine oxide
SMILESCC[N+]([O-])(CC)CC[N+]([O-])(CC)CC
InChIInChI=1S/C10H24N2O2/c1-5-11(13,6-2)9-10-12(14,7-3)8-4/h5-10H2,1-4H3
InChIKeyPZVDFMYKRVJOBB-UHFFFAOYSA-N
MW204.31 g/mol
LogP1.70
Rot. Bonds7

About N,N,N',N'-tetraethylethane-1,2-diamine oxide

N,N,N',N'-tetraethylethane-1,2-diamine oxide (PubChem CID 20535654) has the molecular formula C10H24N2O2 and a molecular weight of 204.31 g/mol. Its IUPAC name is N,N,N',N'-tetraethylethane-1,2-diamine oxide.

Molecular Properties

Compound NameN,N,N',N'-tetraethylethane-1,2-diamine oxide
PubChem CID20535654
Molecular FormulaC10H24N2O2
Molecular Weight204.31 g/mol
Exact Mass204.18
IUPAC NameN,N,N',N'-tetraethylethane-1,2-diamine oxide
SMILESCC[N+]([O-])(CC)CC[N+]([O-])(CC)CC
InChIInChI=1S/C10H24N2O2/c1-5-11(13,6-2)9-10-12(14,7-3)8-4/h5-10H2,1-4H3
InChIKeyPZVDFMYKRVJOBB-UHFFFAOYSA-N
XLogP1.70
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

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CID 19001167
N',N'-bis(2-chloroethyl)-N,N-diethylpentane-1,5-diamine oxide
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N-(2-hydroxyethyl)-N-propylpropan-1-amine oxide
CID 102416787
4-carboxy-N,N-diethylpent-4-en-1-amine oxide
CID 54350790
N,N-dimethylethanamine oxide;hydrochloride
CID 42639630
N-ethyl-N-oct-7-enyloct-7-en-1-amine oxide
CID 102116444
N-ethyl-N-methylpropan-1-amine oxide
CID 102278866
(2S)-N,N-diethyl-2,3-dihydroxypropan-1-amine oxide
CID 139123683
N,N,N',N'-tetrabutylpentane-1,5-diamine oxide
CID 102443928
N,N,N',N'-tetrabutyldecane-1,10-diamine oxide
CID 102443929
N-(2-hydroxyethyl)-N-tetradecyltetradecan-1-amine oxide;dihydrate
CID 87317132
triethyl-[2-(triethylazaniumyl)ethyl]azanium bromide
CID 54612490

Frequently Asked Questions

What is the IUPAC name of N,N,N',N'-tetraethylethane-1,2-diamine oxide?
The IUPAC name of N,N,N',N'-tetraethylethane-1,2-diamine oxide (CID 20535654) is N,N,N',N'-tetraethylethane-1,2-diamine oxide.
What is the SMILES notation for N,N,N',N'-tetraethylethane-1,2-diamine oxide?
The canonical SMILES for N,N,N',N'-tetraethylethane-1,2-diamine oxide is CC[N+]([O-])(CC)CC[N+]([O-])(CC)CC.
What is the InChIKey of N,N,N',N'-tetraethylethane-1,2-diamine oxide?
The InChIKey is PZVDFMYKRVJOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O2/c1-5-11(13,6-2)9-10-12(14,7-3)8-4/h5-10H2,1-4H3.
What are the key properties of N,N,N',N'-tetraethylethane-1,2-diamine oxide?
N,N,N',N'-tetraethylethane-1,2-diamine oxide has a molecular weight of 204.31 g/mol, XLogP of 1.70, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N',N'-tetraethylethane-1,2-diamine oxide is sourced from PubChem (CID 20535654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).