N-methyl-N'-(nitrosomethyl)ethane-1,2-diamine

C4H11N3O — CID 118616890

IUPACN-methyl-N'-(nitrosomethyl)ethane-1,2-diamine
SMILESCNCCNCN=O
InChIInChI=1S/C4H11N3O/c1-5-2-3-6-4-7-8/h5-6H,2-4H2,1H3
InChIKeyVSYDNQMRCVXHCI-UHFFFAOYSA-N
MW117.15 g/mol
LogP-0.48
Rot. Bonds5

About N-methyl-N'-(nitrosomethyl)ethane-1,2-diamine

N-methyl-N'-(nitrosomethyl)ethane-1,2-diamine (PubChem CID 118616890) has the molecular formula C4H11N3O and a molecular weight of 117.15 g/mol. Its IUPAC name is N-methyl-N'-(nitrosomethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N'-(nitrosomethyl)ethane-1,2-diamine
PubChem CID118616890
Molecular FormulaC4H11N3O
Molecular Weight117.15 g/mol
Exact Mass117.09
IUPAC NameN-methyl-N'-(nitrosomethyl)ethane-1,2-diamine
SMILESCNCCNCN=O
InChIInChI=1S/C4H11N3O/c1-5-2-3-6-4-7-8/h5-6H,2-4H2,1H3
InChIKeyVSYDNQMRCVXHCI-UHFFFAOYSA-N
XLogP-0.48
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-methyl-N'-(nitrosomethyl)ethane-1,2-diamine 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'-(nitrosomethyl)ethane-1,2-diamine?
The IUPAC name of N-methyl-N'-(nitrosomethyl)ethane-1,2-diamine (CID 118616890) is N-methyl-N'-(nitrosomethyl)ethane-1,2-diamine.
What is the SMILES notation for N-methyl-N'-(nitrosomethyl)ethane-1,2-diamine?
The canonical SMILES for N-methyl-N'-(nitrosomethyl)ethane-1,2-diamine is CNCCNCN=O.
What is the InChIKey of N-methyl-N'-(nitrosomethyl)ethane-1,2-diamine?
The InChIKey is VSYDNQMRCVXHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3O/c1-5-2-3-6-4-7-8/h5-6H,2-4H2,1H3.
What are the key properties of N-methyl-N'-(nitrosomethyl)ethane-1,2-diamine?
N-methyl-N'-(nitrosomethyl)ethane-1,2-diamine has a molecular weight of 117.15 g/mol, XLogP of -0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-(nitrosomethyl)ethane-1,2-diamine is sourced from PubChem (CID 118616890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).