N-butyl-2-diazoacetamide

C6H11N3O — CID 54521755

IUPACN-butyl-2-diazoacetamide
SMILESCCCCNC(=O)C=[N+]=[N-]
InChIInChI=1S/C6H11N3O/c1-2-3-4-8-6(10)5-9-7/h5H,2-4H2,1H3,(H,8,10)
InChIKeyYQHLOLWNBKNDSL-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.20
Rot. Bonds4

About N-butyl-2-diazoacetamide

N-butyl-2-diazoacetamide (PubChem CID 54521755) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is N-butyl-2-diazoacetamide.

Molecular Properties

Compound NameN-butyl-2-diazoacetamide
PubChem CID54521755
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC NameN-butyl-2-diazoacetamide
SMILESCCCCNC(=O)C=[N+]=[N-]
InChIInChI=1S/C6H11N3O/c1-2-3-4-8-6(10)5-9-7/h5H,2-4H2,1H3,(H,8,10)
InChIKeyYQHLOLWNBKNDSL-UHFFFAOYSA-N
XLogP0.20
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.20
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-Acetylputrescine
CID 122356
N-acetylputrescinium
CID 25243990
N-butyl-2-(hydroxyimino)acetamide
CID 138376763
N-(4-azidobutyl)acetamide
CID 14202060
N-(2-iminoethyl)acetamide
CID 88036195
N-(5-iminopentyl)acetamide
CID 88941159
2-imino-N-(2-methylpropyl)acetamide
CID 89031765
N-(3-iminopropyl)acetamide
CID 89441657
N-ethyl-2-iminoacetamide
CID 123148971
N-(3-iminopropyl)butanamide
CID 123286483
N-ethyl-3-iminopropanamide
CID 123320550
N-(3-methyliminopropyl)acetamide
CID 123528967

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-diazoacetamide?
The IUPAC name of N-butyl-2-diazoacetamide (CID 54521755) is N-butyl-2-diazoacetamide.
What is the SMILES notation for N-butyl-2-diazoacetamide?
The canonical SMILES for N-butyl-2-diazoacetamide is CCCCNC(=O)C=[N+]=[N-].
What is the InChIKey of N-butyl-2-diazoacetamide?
The InChIKey is YQHLOLWNBKNDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-2-3-4-8-6(10)5-9-7/h5H,2-4H2,1H3,(H,8,10).
What are the key properties of N-butyl-2-diazoacetamide?
N-butyl-2-diazoacetamide has a molecular weight of 141.17 g/mol, XLogP of 0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-diazoacetamide is sourced from PubChem (CID 54521755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).