6-azido-N-methylhexanamide

C7H14N4O — CID 130188396

IUPAC6-azido-N-methylhexanamide
SMILESCNC(=O)CCCCCN=[N+]=[N-]
InChIInChI=1S/C7H14N4O/c1-9-7(12)5-3-2-4-6-10-11-8/h2-6H2,1H3,(H,9,12)
InChIKeyHPSANSRMYPAISF-UHFFFAOYSA-N
MW170.22 g/mol
LogP1.60
Rot. Bonds6

About 6-azido-N-methylhexanamide

6-azido-N-methylhexanamide (PubChem CID 130188396) has the molecular formula C7H14N4O and a molecular weight of 170.22 g/mol. Its IUPAC name is 6-azido-N-methylhexanamide.

Molecular Properties

Compound Name6-azido-N-methylhexanamide
PubChem CID130188396
Molecular FormulaC7H14N4O
Molecular Weight170.22 g/mol
Exact Mass170.12
IUPAC Name6-azido-N-methylhexanamide
SMILESCNC(=O)CCCCCN=[N+]=[N-]
InChIInChI=1S/C7H14N4O/c1-9-7(12)5-3-2-4-6-10-11-8/h2-6H2,1H3,(H,9,12)
InChIKeyHPSANSRMYPAISF-UHFFFAOYSA-N
XLogP1.60
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 51.60
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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Related Compounds

6-azido-N-propan-2-ylhexanamide
CID 151413918
N,N'-dimethylheptanediamide
CID 15166696
16-azidohexadecan-2-one
CID 56624829
N-(4-azidobutyl)heptanamide
CID 106386394
7-azido-N-[(2-methylpropan-2-yl)oxy]heptanamide
CID 86614265
9-azidononanoic acid
CID 15230549
methyl 12-azido-3-oxododecanoate
CID 166511245
N-(4-azidobutyl)hexanamide
CID 106386708
N-(3-aminopropyl)-6-azidohexanamide
CID 151488540
6-azidohexanoyl chloride
CID 14580383
14-azidotetradecane-2,5-dione
CID 135040428
18-azido-N-[2-[3-[[3-[2-(18-azidooctadecanoylamino)ethylamino]-3-oxopropyl]-[2-[bis[3-[2-(18-azidooctadecanoylamino)ethylamino]-3-oxopropyl]amino]ethyl]amino]propanoylamino]ethyl]octadecanamide
CID 175974190

Frequently Asked Questions

What is the IUPAC name of 6-azido-N-methylhexanamide?
The IUPAC name of 6-azido-N-methylhexanamide (CID 130188396) is 6-azido-N-methylhexanamide.
What is the SMILES notation for 6-azido-N-methylhexanamide?
The canonical SMILES for 6-azido-N-methylhexanamide is CNC(=O)CCCCCN=[N+]=[N-].
What is the InChIKey of 6-azido-N-methylhexanamide?
The InChIKey is HPSANSRMYPAISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O/c1-9-7(12)5-3-2-4-6-10-11-8/h2-6H2,1H3,(H,9,12).
What are the key properties of 6-azido-N-methylhexanamide?
6-azido-N-methylhexanamide has a molecular weight of 170.22 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azido-N-methylhexanamide is sourced from PubChem (CID 130188396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).