2-diazo-N-heptylacetamide

C9H17N3O — CID 85132206

IUPAC2-diazo-N-heptylacetamide
SMILESCCCCCCCNC(=O)C=[N+]=[N-]
InChIInChI=1S/C9H17N3O/c1-2-3-4-5-6-7-11-9(13)8-12-10/h8H,2-7H2,1H3,(H,11,13)
InChIKeyGELYAKPCMQBDOG-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.37
Rot. Bonds7

About 2-diazo-N-heptylacetamide

2-diazo-N-heptylacetamide (PubChem CID 85132206) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-diazo-N-heptylacetamide.

Molecular Properties

Compound Name2-diazo-N-heptylacetamide
PubChem CID85132206
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name2-diazo-N-heptylacetamide
SMILESCCCCCCCNC(=O)C=[N+]=[N-]
InChIInChI=1S/C9H17N3O/c1-2-3-4-5-6-7-11-9(13)8-12-10/h8H,2-7H2,1H3,(H,11,13)
InChIKeyGELYAKPCMQBDOG-UHFFFAOYSA-N
XLogP1.37
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.37
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-(10-Amino-decyl)-acetamide
CID 4194799
Acetamide, N-(8-aminooctyl)-
CID 4420356
N-(7-acetamidoheptyl)acetamide
CID 340007
N~2~-(Diazoacetyl)-N-hexylglycinamide
CID 3312788
N-(7-aminoheptyl)acetamide
CID 13446521
N-(9-aminononyl)acetamide
CID 23499656
N-butyl-2-diazoacetamide
CID 54521755
N-(6-azidohexyl)acetamide
CID 58992337
N-(6-azidohexyl)propanamide
CID 59533712
N-(12-aminododecyl)acetamide
CID 85564857
N-[8-(methylamino)octyl]acetamide
CID 88915247
N-(7-aminoheptyl)propanamide
CID 90266333

Frequently Asked Questions

What is the IUPAC name of 2-diazo-N-heptylacetamide?
The IUPAC name of 2-diazo-N-heptylacetamide (CID 85132206) is 2-diazo-N-heptylacetamide.
What is the SMILES notation for 2-diazo-N-heptylacetamide?
The canonical SMILES for 2-diazo-N-heptylacetamide is CCCCCCCNC(=O)C=[N+]=[N-].
What is the InChIKey of 2-diazo-N-heptylacetamide?
The InChIKey is GELYAKPCMQBDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-2-3-4-5-6-7-11-9(13)8-12-10/h8H,2-7H2,1H3,(H,11,13).
What are the key properties of 2-diazo-N-heptylacetamide?
2-diazo-N-heptylacetamide has a molecular weight of 183.25 g/mol, XLogP of 1.37, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diazo-N-heptylacetamide is sourced from PubChem (CID 85132206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).