N-methyl-N-[2-[methyl(nitroso)amino]ethyl]nitrous amide

C4H10N4O2 — CID 25806

IUPACN-methyl-N-[2-[methyl(nitroso)amino]ethyl]nitrous amide
SMILESCN(CCN(C)N=O)N=O
InChIInChI=1S/C4H10N4O2/c1-7(5-9)3-4-8(2)6-10/h3-4H2,1-2H3
InChIKeyYHIARNFLMZPJGR-UHFFFAOYSA-N
MW146.15 g/mol
LogP0.21
Rot. Bonds5

About N-methyl-N-[2-[methyl(nitroso)amino]ethyl]nitrous amide

N-methyl-N-[2-[methyl(nitroso)amino]ethyl]nitrous amide (PubChem CID 25806) has the molecular formula C4H10N4O2 and a molecular weight of 146.15 g/mol. Its IUPAC name is N-methyl-N-[2-[methyl(nitroso)amino]ethyl]nitrous amide.

Molecular Properties

Compound NameN-methyl-N-[2-[methyl(nitroso)amino]ethyl]nitrous amide
PubChem CID25806
Molecular FormulaC4H10N4O2
Molecular Weight146.15 g/mol
Exact Mass146.08
IUPAC NameN-methyl-N-[2-[methyl(nitroso)amino]ethyl]nitrous amide
SMILESCN(CCN(C)N=O)N=O
InChIInChI=1S/C4H10N4O2/c1-7(5-9)3-4-8(2)6-10/h3-4H2,1-2H3
InChIKeyYHIARNFLMZPJGR-UHFFFAOYSA-N
XLogP0.21
TPSA65.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-methyl-N-[2-[methyl(nitroso)amino]ethyl]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

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[methyl(nitroso)amino]ethyl]nitrous amide?
The IUPAC name of N-methyl-N-[2-[methyl(nitroso)amino]ethyl]nitrous amide (CID 25806) is N-methyl-N-[2-[methyl(nitroso)amino]ethyl]nitrous amide.
What is the SMILES notation for N-methyl-N-[2-[methyl(nitroso)amino]ethyl]nitrous amide?
The canonical SMILES for N-methyl-N-[2-[methyl(nitroso)amino]ethyl]nitrous amide is CN(CCN(C)N=O)N=O.
What is the InChIKey of N-methyl-N-[2-[methyl(nitroso)amino]ethyl]nitrous amide?
The InChIKey is YHIARNFLMZPJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N4O2/c1-7(5-9)3-4-8(2)6-10/h3-4H2,1-2H3.
What are the key properties of N-methyl-N-[2-[methyl(nitroso)amino]ethyl]nitrous amide?
N-methyl-N-[2-[methyl(nitroso)amino]ethyl]nitrous amide has a molecular weight of 146.15 g/mol, XLogP of 0.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[methyl(nitroso)amino]ethyl]nitrous amide is sourced from PubChem (CID 25806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).