1-diazo-2-methylpropane

C4H8N2 — CID 12511037

IUPAC1-diazo-2-methylpropane
SMILESCC(C)C=[N+]=[N-]
InChIInChI=1S/C4H8N2/c1-4(2)3-6-5/h3-4H,1-2H3
InChIKeyYQRAKZZSVFNBSE-UHFFFAOYSA-N
MW84.12 g/mol
LogP0.94
Rot. Bonds1

About 1-diazo-2-methylpropane

1-diazo-2-methylpropane (PubChem CID 12511037) has the molecular formula C4H8N2 and a molecular weight of 84.12 g/mol. Its IUPAC name is 1-diazo-2-methylpropane.

Molecular Properties

Compound Name1-diazo-2-methylpropane
PubChem CID12511037
Molecular FormulaC4H8N2
Molecular Weight84.12 g/mol
Exact Mass84.07
IUPAC Name1-diazo-2-methylpropane
SMILESCC(C)C=[N+]=[N-]
InChIInChI=1S/C4H8N2/c1-4(2)3-6-5/h3-4H,1-2H3
InChIKeyYQRAKZZSVFNBSE-UHFFFAOYSA-N
XLogP0.94
TPSA36.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.12
LogP ≤ 50.94
H-Bond Donors ≤ 50
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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-diazo-2-methylpropane?
The IUPAC name of 1-diazo-2-methylpropane (CID 12511037) is 1-diazo-2-methylpropane.
What is the SMILES notation for 1-diazo-2-methylpropane?
The canonical SMILES for 1-diazo-2-methylpropane is CC(C)C=[N+]=[N-].
What is the InChIKey of 1-diazo-2-methylpropane?
The InChIKey is YQRAKZZSVFNBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2/c1-4(2)3-6-5/h3-4H,1-2H3.
What are the key properties of 1-diazo-2-methylpropane?
1-diazo-2-methylpropane has a molecular weight of 84.12 g/mol, XLogP of 0.94, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diazo-2-methylpropane is sourced from PubChem (CID 12511037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).