N,N-bis(trideuteriomethyl)nitrous amide

C6H18N6O3 — CID 154792768

IUPACN,N-bis(trideuteriomethyl)nitrous amide
SMILES[2H]C([2H])([2H])N(N=O)C([2H])([2H])[2H].[2H]C([2H])([2H])N(N=O)C([2H])([2H])[2H].[2H]C([2H])([2H])N(N=O)C([2H])([2H])[2H]
InChIInChI=1S/3C2H6N2O/c3*1-4(2)3-5/h3*1-2H3/i3*1D3,2D3
InChIKeyDINVQUZBIQHAPA-CVFZNTDSSA-N
MW240.36 g/mol
LogP0.69
Rot. Bonds9

About N,N-bis(trideuteriomethyl)nitrous amide

N,N-bis(trideuteriomethyl)nitrous amide (PubChem CID 154792768) has the molecular formula C6H18N6O3 and a molecular weight of 240.36 g/mol. Its IUPAC name is N,N-bis(trideuteriomethyl)nitrous amide.

Molecular Properties

Compound NameN,N-bis(trideuteriomethyl)nitrous amide
PubChem CID154792768
Molecular FormulaC6H18N6O3
Molecular Weight240.36 g/mol
Exact Mass240.26
IUPAC NameN,N-bis(trideuteriomethyl)nitrous amide
SMILES[2H]C([2H])([2H])N(N=O)C([2H])([2H])[2H].[2H]C([2H])([2H])N(N=O)C([2H])([2H])[2H].[2H]C([2H])([2H])N(N=O)C([2H])([2H])[2H]
InChIInChI=1S/3C2H6N2O/c3*1-4(2)3-5/h3*1-2H3/i3*1D3,2D3
InChIKeyDINVQUZBIQHAPA-CVFZNTDSSA-N
XLogP0.69
TPSA98.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.36
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N,N-bis(trideuteriomethyl)nitrous amide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-N-(1,1,2,2-tetradeuterioethyl)nitrous amide
CID 126456058
N,N-dibutylnitrous amide;N,N-dimethylnitrous amide
CID 159809531
1,1,1-trideuterio-N,N-bis(trideuteriomethyl)methan(15N)amine;hydrochloride
CID 87229238
N-methyl-N-[2-[methyl(nitroso)amino]ethyl]nitrous amide
CID 25806
potassium nitroso(trideuteriomethyl)azanide
CID 23685783
bis(trideuteriomethyl)carbamic acid
CID 150107082
N-(dimethylamino)-N-oxidonitrous amide
CID 10654235
amino(nitroso)cyanamide
CID 86222366
N-amino-N-ethylnitrous amide
CID 23266213
2-chloro-N,N-dimethylethanamine;N,N-dimethylnitrous amide;N-methyl-N-nitrosopropanamide
CID 159949858
N-(1-hydroxyethyl)-N-methylnitrous amide
CID 59097414
dimethylaminosilyl nitrite
CID 174517012

Frequently Asked Questions

What is the IUPAC name of N,N-bis(trideuteriomethyl)nitrous amide?
The IUPAC name of N,N-bis(trideuteriomethyl)nitrous amide (CID 154792768) is N,N-bis(trideuteriomethyl)nitrous amide.
What is the SMILES notation for N,N-bis(trideuteriomethyl)nitrous amide?
The canonical SMILES for N,N-bis(trideuteriomethyl)nitrous amide is [2H]C([2H])([2H])N(N=O)C([2H])([2H])[2H].[2H]C([2H])([2H])N(N=O)C([2H])([2H])[2H].[2H]C([2H])([2H])N(N=O)C([2H])([2H])[2H].
What is the InChIKey of N,N-bis(trideuteriomethyl)nitrous amide?
The InChIKey is DINVQUZBIQHAPA-CVFZNTDSSA-N. The full InChI is InChI=1S/3C2H6N2O/c3*1-4(2)3-5/h3*1-2H3/i3*1D3,2D3.
What are the key properties of N,N-bis(trideuteriomethyl)nitrous amide?
N,N-bis(trideuteriomethyl)nitrous amide has a molecular weight of 240.36 g/mol, XLogP of 0.69, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(trideuteriomethyl)nitrous amide is sourced from PubChem (CID 154792768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).