2-diazo-N-hexylacetamide

C8H15N3O — CID 102409960

IUPAC2-diazo-N-hexylacetamide
SMILESCCCCCCNC(=O)C=[N+]=[N-]
InChIInChI=1S/C8H15N3O/c1-2-3-4-5-6-10-8(12)7-11-9/h7H,2-6H2,1H3,(H,10,12)
InChIKeyNBUZGYPYUPKVJM-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.98
Rot. Bonds6

About 2-diazo-N-hexylacetamide

2-diazo-N-hexylacetamide (PubChem CID 102409960) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 2-diazo-N-hexylacetamide.

Molecular Properties

Compound Name2-diazo-N-hexylacetamide
PubChem CID102409960
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name2-diazo-N-hexylacetamide
SMILESCCCCCCNC(=O)C=[N+]=[N-]
InChIInChI=1S/C8H15N3O/c1-2-3-4-5-6-10-8(12)7-11-9/h7H,2-6H2,1H3,(H,10,12)
InChIKeyNBUZGYPYUPKVJM-UHFFFAOYSA-N
XLogP0.98
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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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Related Compounds

N~2~-(Diazoacetyl)-N-hexylglycinamide
CID 3312788
N-butyl-2-diazoacetamide
CID 54521755
N-(6-azidohexyl)acetamide
CID 58992337
N-(6-azidohexyl)propanamide
CID 59533712
N-(5-iminopentyl)acetamide
CID 88941159
N-cyclohexyl-2-diazoacetamide
CID 102191923
N-[[(1Z,2Z)-4,5,6,7-tetrahydrodiazocin-3-yl]methyl]acetamide
CID 123170351
N-cyclohexyl-2-iminoacetamide
CID 132004388
N-(5-(113C)methyliminopentyl)acetamide
CID 135251333
N-(5-(113C)methyliminopentyl)acetamide
CID 135251349
N-(5-(113C)methyliminopentyl)acetamide
CID 135251366
N-(5-(113C)methyliminopentyl)acetamide
CID 135251398

Frequently Asked Questions

What is the IUPAC name of 2-diazo-N-hexylacetamide?
The IUPAC name of 2-diazo-N-hexylacetamide (CID 102409960) is 2-diazo-N-hexylacetamide.
What is the SMILES notation for 2-diazo-N-hexylacetamide?
The canonical SMILES for 2-diazo-N-hexylacetamide is CCCCCCNC(=O)C=[N+]=[N-].
What is the InChIKey of 2-diazo-N-hexylacetamide?
The InChIKey is NBUZGYPYUPKVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-2-3-4-5-6-10-8(12)7-11-9/h7H,2-6H2,1H3,(H,10,12).
What are the key properties of 2-diazo-N-hexylacetamide?
2-diazo-N-hexylacetamide has a molecular weight of 169.23 g/mol, XLogP of 0.98, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diazo-N-hexylacetamide is sourced from PubChem (CID 102409960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).