N-ethyl-N-(1,1,2,2-tetradeuterioethyl)nitrous amide

C4H10N2O — CID 126456058

IUPACN-ethyl-N-(1,1,2,2-tetradeuterioethyl)nitrous amide
SMILES[2H]C([2H])C([2H])([2H])N(CC)N=O
InChIInChI=1S/C4H10N2O/c1-3-6(4-2)5-7/h3-4H2,1-2H3/i1D2,3D2
InChIKeyWBNQDOYYEUMPFS-VEPVEJTGSA-N
MW106.16 g/mol
LogP1.01
Rot. Bonds4

About N-ethyl-N-(1,1,2,2-tetradeuterioethyl)nitrous amide

N-ethyl-N-(1,1,2,2-tetradeuterioethyl)nitrous amide (PubChem CID 126456058) has the molecular formula C4H10N2O and a molecular weight of 106.16 g/mol. Its IUPAC name is N-ethyl-N-(1,1,2,2-tetradeuterioethyl)nitrous amide.

Molecular Properties

Compound NameN-ethyl-N-(1,1,2,2-tetradeuterioethyl)nitrous amide
PubChem CID126456058
Molecular FormulaC4H10N2O
Molecular Weight106.16 g/mol
Exact Mass106.10
IUPAC NameN-ethyl-N-(1,1,2,2-tetradeuterioethyl)nitrous amide
SMILES[2H]C([2H])C([2H])([2H])N(CC)N=O
InChIInChI=1S/C4H10N2O/c1-3-6(4-2)5-7/h3-4H2,1-2H3/i1D2,3D2
InChIKeyWBNQDOYYEUMPFS-VEPVEJTGSA-N
XLogP1.01
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.16
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)ethyl]-N-ethylnitrous amide
CID 156620436
3-[ethyl(nitroso)amino]propanamide
CID 172967454
N-(1,2-13C2)ethyl-N-(113C)methylnitrous amide
CID 171380411
N-amino-N-ethylnitrous amide
CID 23266213
N,N-bis(2,2-dimethylpropyl)nitrous amide
CID 87559088
N,N-dibutylnitrous amide;N,N-dimethylnitrous amide
CID 159809531
N,N-bis(trideuteriomethyl)nitrous amide
CID 154792768
N,N-bis(fluoromethyl)nitrous amide
CID 172967708
sodium (diethylhydrazinylidene)-dioxidoazanium
CID 22022822
N-propyl-N-(3,3,3-trihydroxypropyl)nitrous amide
CID 140609588
1-ethyl-1-nitrosourea
CID 159023173
1-deuteriobutyl nitrite
CID 154638986

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(1,1,2,2-tetradeuterioethyl)nitrous amide?
The IUPAC name of N-ethyl-N-(1,1,2,2-tetradeuterioethyl)nitrous amide (CID 126456058) is N-ethyl-N-(1,1,2,2-tetradeuterioethyl)nitrous amide.
What is the SMILES notation for N-ethyl-N-(1,1,2,2-tetradeuterioethyl)nitrous amide?
The canonical SMILES for N-ethyl-N-(1,1,2,2-tetradeuterioethyl)nitrous amide is [2H]C([2H])C([2H])([2H])N(CC)N=O.
What is the InChIKey of N-ethyl-N-(1,1,2,2-tetradeuterioethyl)nitrous amide?
The InChIKey is WBNQDOYYEUMPFS-VEPVEJTGSA-N. The full InChI is InChI=1S/C4H10N2O/c1-3-6(4-2)5-7/h3-4H2,1-2H3/i1D2,3D2.
What are the key properties of N-ethyl-N-(1,1,2,2-tetradeuterioethyl)nitrous amide?
N-ethyl-N-(1,1,2,2-tetradeuterioethyl)nitrous amide has a molecular weight of 106.16 g/mol, XLogP of 1.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(1,1,2,2-tetradeuterioethyl)nitrous amide is sourced from PubChem (CID 126456058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).