N-(6-azidohexyl)acetamide

C8H16N4O — CID 58992337

IUPACN-(6-azidohexyl)acetamide
SMILESCC(=O)NCCCCCCN=[N+]=[N-]
InChIInChI=1S/C8H16N4O/c1-8(13)10-6-4-2-3-5-7-11-12-9/h2-7H2,1H3,(H,10,13)
InChIKeyIXLUPGGDEKMVBG-UHFFFAOYSA-N
MW184.24 g/mol
LogP1.99
Rot. Bonds7

About N-(6-azidohexyl)acetamide

N-(6-azidohexyl)acetamide (PubChem CID 58992337) has the molecular formula C8H16N4O and a molecular weight of 184.24 g/mol. Its IUPAC name is N-(6-azidohexyl)acetamide.

Molecular Properties

Compound NameN-(6-azidohexyl)acetamide
PubChem CID58992337
Molecular FormulaC8H16N4O
Molecular Weight184.24 g/mol
Exact Mass184.13
IUPAC NameN-(6-azidohexyl)acetamide
SMILESCC(=O)NCCCCCCN=[N+]=[N-]
InChIInChI=1S/C8H16N4O/c1-8(13)10-6-4-2-3-5-7-11-12-9/h2-7H2,1H3,(H,10,13)
InChIKeyIXLUPGGDEKMVBG-UHFFFAOYSA-N
XLogP1.99
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.99
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 N-(6-azidohexyl)acetamide?
The IUPAC name of N-(6-azidohexyl)acetamide (CID 58992337) is N-(6-azidohexyl)acetamide.
What is the SMILES notation for N-(6-azidohexyl)acetamide?
The canonical SMILES for N-(6-azidohexyl)acetamide is CC(=O)NCCCCCCN=[N+]=[N-].
What is the InChIKey of N-(6-azidohexyl)acetamide?
The InChIKey is IXLUPGGDEKMVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O/c1-8(13)10-6-4-2-3-5-7-11-12-9/h2-7H2,1H3,(H,10,13).
What are the key properties of N-(6-azidohexyl)acetamide?
N-(6-azidohexyl)acetamide has a molecular weight of 184.24 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-azidohexyl)acetamide is sourced from PubChem (CID 58992337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).