N-(6-azidohexyl)propanamide

C9H18N4O — CID 59533712

IUPACN-(6-azidohexyl)propanamide
SMILESCCC(=O)NCCCCCCN=[N+]=[N-]
InChIInChI=1S/C9H18N4O/c1-2-9(14)11-7-5-3-4-6-8-12-13-10/h2-8H2,1H3,(H,11,14)
InChIKeyMJRAOVPRVVOGLG-UHFFFAOYSA-N
MW198.27 g/mol
LogP2.38
Rot. Bonds8

About N-(6-azidohexyl)propanamide

N-(6-azidohexyl)propanamide (PubChem CID 59533712) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is N-(6-azidohexyl)propanamide.

Molecular Properties

Compound NameN-(6-azidohexyl)propanamide
PubChem CID59533712
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC NameN-(6-azidohexyl)propanamide
SMILESCCC(=O)NCCCCCCN=[N+]=[N-]
InChIInChI=1S/C9H18N4O/c1-2-9(14)11-7-5-3-4-6-8-12-13-10/h2-8H2,1H3,(H,11,14)
InChIKeyMJRAOVPRVVOGLG-UHFFFAOYSA-N
XLogP2.38
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 52.38
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

Hexamethylene Bisacetamide
CID 3616
N-Acetylcadaverine
CID 189087
N-Hexylacetamide
CID 24129
N-Hexylbutanamide
CID 25112
Valeramide, N-hexyl-
CID 82502
N-(5-(Acetylamino)pentylene)acetamide
CID 100784
Poly(imino(1,6-dioxo-1,6-hexanediyl)imino-1,6-hexanediyl)
CID 3032893
Propanamide, N,N'-1,6-hexanediylbis-
CID 2847505
N-[6-(butanoylamino)hexyl]butanamide
CID 5133798
N-Acetyl-1,6-diaminohexane
CID 162081
N-heptylacetamide
CID 347488
6-Acetamidohexanamide
CID 21103226

Frequently Asked Questions

What is the IUPAC name of N-(6-azidohexyl)propanamide?
The IUPAC name of N-(6-azidohexyl)propanamide (CID 59533712) is N-(6-azidohexyl)propanamide.
What is the SMILES notation for N-(6-azidohexyl)propanamide?
The canonical SMILES for N-(6-azidohexyl)propanamide is CCC(=O)NCCCCCCN=[N+]=[N-].
What is the InChIKey of N-(6-azidohexyl)propanamide?
The InChIKey is MJRAOVPRVVOGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O/c1-2-9(14)11-7-5-3-4-6-8-12-13-10/h2-8H2,1H3,(H,11,14).
What are the key properties of N-(6-azidohexyl)propanamide?
N-(6-azidohexyl)propanamide has a molecular weight of 198.27 g/mol, XLogP of 2.38, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-azidohexyl)propanamide is sourced from PubChem (CID 59533712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).