1-diazo-N'-methylmethanediamine

C2H6N4 — CID 54173319

IUPAC1-diazo-N'-methylmethanediamine
SMILESCNC(N)=[N+]=[N-]
InChIInChI=1S/C2H6N4/c1-5-2(3)6-4/h5H,3H2,1H3
InChIKeyOWNMTUNUDTWGIU-UHFFFAOYSA-N
MW86.10 g/mol
LogP-1.25
Rot. Bonds

About 1-diazo-N'-methylmethanediamine

1-diazo-N'-methylmethanediamine (PubChem CID 54173319) has the molecular formula C2H6N4 and a molecular weight of 86.10 g/mol. Its IUPAC name is 1-diazo-N'-methylmethanediamine.

Molecular Properties

Compound Name1-diazo-N'-methylmethanediamine
PubChem CID54173319
Molecular FormulaC2H6N4
Molecular Weight86.10 g/mol
Exact Mass86.06
IUPAC Name1-diazo-N'-methylmethanediamine
SMILESCNC(N)=[N+]=[N-]
InChIInChI=1S/C2H6N4/c1-5-2(3)6-4/h5H,3H2,1H3
InChIKeyOWNMTUNUDTWGIU-UHFFFAOYSA-N
XLogP-1.25
TPSA74.45 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.10
LogP ≤ 5-1.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-diazo-N'-methylmethanediamine?
The IUPAC name of 1-diazo-N'-methylmethanediamine (CID 54173319) is 1-diazo-N'-methylmethanediamine.
What is the SMILES notation for 1-diazo-N'-methylmethanediamine?
The canonical SMILES for 1-diazo-N'-methylmethanediamine is CNC(N)=[N+]=[N-].
What is the InChIKey of 1-diazo-N'-methylmethanediamine?
The InChIKey is OWNMTUNUDTWGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6N4/c1-5-2(3)6-4/h5H,3H2,1H3.
What are the key properties of 1-diazo-N'-methylmethanediamine?
1-diazo-N'-methylmethanediamine has a molecular weight of 86.10 g/mol, XLogP of -1.25, 0 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diazo-N'-methylmethanediamine is sourced from PubChem (CID 54173319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).