2-azido-N-methylethanamine

C3H8N4 — CID 11062315

IUPAC2-azido-N-methylethanamine
SMILESCNCCN=[N+]=[N-]
InChIInChI=1S/C3H8N4/c1-5-2-3-6-7-4/h5H,2-3H2,1H3
InChIKeyONVHXPHAVJIGPE-UHFFFAOYSA-N
MW100.12 g/mol
LogP0.52
Rot. Bonds3

About 2-azido-N-methylethanamine

2-azido-N-methylethanamine (PubChem CID 11062315) has the molecular formula C3H8N4 and a molecular weight of 100.12 g/mol. Its IUPAC name is 2-azido-N-methylethanamine.

Molecular Properties

Compound Name2-azido-N-methylethanamine
PubChem CID11062315
Molecular FormulaC3H8N4
Molecular Weight100.12 g/mol
Exact Mass100.07
IUPAC Name2-azido-N-methylethanamine
SMILESCNCCN=[N+]=[N-]
InChIInChI=1S/C3H8N4/c1-5-2-3-6-7-4/h5H,2-3H2,1H3
InChIKeyONVHXPHAVJIGPE-UHFFFAOYSA-N
XLogP0.52
TPSA60.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-azido-N-methylethanamine?
The IUPAC name of 2-azido-N-methylethanamine (CID 11062315) is 2-azido-N-methylethanamine.
What is the SMILES notation for 2-azido-N-methylethanamine?
The canonical SMILES for 2-azido-N-methylethanamine is CNCCN=[N+]=[N-].
What is the InChIKey of 2-azido-N-methylethanamine?
The InChIKey is ONVHXPHAVJIGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N4/c1-5-2-3-6-7-4/h5H,2-3H2,1H3.
What are the key properties of 2-azido-N-methylethanamine?
2-azido-N-methylethanamine has a molecular weight of 100.12 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-N-methylethanamine is sourced from PubChem (CID 11062315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).