Azidomethane;3-azidopropan-1-amine;N-(3-azidopropyl)acetamide;butan-1-amine

C₁₃H₃₂N₁₂O — CID 159039098

About Azidomethane;3-azidopropan-1-amine;N-(3-azidopropyl)acetamide;butan-1-amine

Azidomethane;3-azidopropan-1-amine;N-(3-azidopropyl)acetamide;butan-1-amine (PubChem CID 159039098) has the molecular formula C₁₃H₃₂N₁₂O and a molecular weight of 372.48 g/mol. Its IUPAC name is azidomethane;3-azidopropan-1-amine;N-(3-azidopropyl)acetamide;butan-1-amine.

Molecular Properties

• Compound Name: Azidomethane;3-azidopropan-1-amine;N-(3-azidopropyl)acetamide;butan-1-amine
• PubChem CID: 159039098
• Molecular Formula: C₁₃H₃₂N₁₂O
• Molecular Weight: 372.48 g/mol
• Exact Mass: 372.28
• IUPAC Name: azidomethane;3-azidopropan-1-amine;N-(3-azidopropyl)acetamide;butan-1-amine
• SMILES: CC(=O)NCCCN=[N+]=[N-].CCCCN.CN=[N+]=[N-].[N-]=[N+]=NCCCN
• InChI: InChI=1S/C5H10N4O.C4H11N.C3H8N4.CH3N3/c1-5(10)7-3-2-4-8-9-6;1-2-3-4-5;4-2-1-3-6-7-5;1-3-4-2/h2-4H2,1H3,(H,7,10);2-5H2,1H3;1-4H2;1H3
• InChIKey: JVVFHMBXQAVFHZ-UHFFFAOYSA-N
• XLogP: 3.14
• TPSA: 227.42 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.48
LogP ≤ 5	3.14
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

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'}

Frequently Asked Questions

What is the IUPAC name of Azidomethane;3-azidopropan-1-amine;N-(3-azidopropyl)acetamide;butan-1-amine?

The IUPAC name of Azidomethane;3-azidopropan-1-amine;N-(3-azidopropyl)acetamide;butan-1-amine (CID 159039098) is azidomethane;3-azidopropan-1-amine;N-(3-azidopropyl)acetamide;butan-1-amine.

What is the SMILES notation for Azidomethane;3-azidopropan-1-amine;N-(3-azidopropyl)acetamide;butan-1-amine?

The canonical SMILES for Azidomethane;3-azidopropan-1-amine;N-(3-azidopropyl)acetamide;butan-1-amine is CC(=O)NCCCN=[N+]=[N-].CCCCN.CN=[N+]=[N-].[N-]=[N+]=NCCCN.

What is the InChIKey of Azidomethane;3-azidopropan-1-amine;N-(3-azidopropyl)acetamide;butan-1-amine?

The InChIKey is JVVFHMBXQAVFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O.C4H11N.C3H8N4.CH3N3/c1-5(10)7-3-2-4-8-9-6;1-2-3-4-5;4-2-1-3-6-7-5;1-3-4-2/h2-4H2,1H3,(H,7,10);2-5H2,1H3;1-4H2;1H3.

What are the key properties of Azidomethane;3-azidopropan-1-amine;N-(3-azidopropyl)acetamide;butan-1-amine?

Azidomethane;3-azidopropan-1-amine;N-(3-azidopropyl)acetamide;butan-1-amine has a molecular weight of 372.48 g/mol, XLogP of 3.14, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for Azidomethane;3-azidopropan-1-amine;N-(3-azidopropyl)acetamide;butan-1-amine is sourced from PubChem (CID 159039098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159039098 — identifiers, structure, computed properties (public domain)

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