1-azidotriacontane

C30H61N3 — CID 71752669

IUPAC1-azidotriacontane
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCN=[N+]=[N-]
InChIInChI=1S/C30H61N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-32-33-31/h2-30H2,1H3
InChIKeyJABIDXRKILOWSQ-UHFFFAOYSA-N
MW463.84 g/mol
LogP12.24
Rot. Bonds29

About 1-azidotriacontane

1-azidotriacontane (PubChem CID 71752669) has the molecular formula C30H61N3 and a molecular weight of 463.84 g/mol. Its IUPAC name is 1-azidotriacontane.

Molecular Properties

Compound Name1-azidotriacontane
PubChem CID71752669
Molecular FormulaC30H61N3
Molecular Weight463.84 g/mol
Exact Mass463.49
IUPAC Name1-azidotriacontane
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCN=[N+]=[N-]
InChIInChI=1S/C30H61N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-32-33-31/h2-30H2,1H3
InChIKeyJABIDXRKILOWSQ-UHFFFAOYSA-N
XLogP12.24
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds29
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.84
LogP ≤ 512.24
H-Bond Donors ≤ 50
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': '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

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1-azido-12-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]dodecane
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Frequently Asked Questions

What is the IUPAC name of 1-azidotriacontane?
The IUPAC name of 1-azidotriacontane (CID 71752669) is 1-azidotriacontane.
What is the SMILES notation for 1-azidotriacontane?
The canonical SMILES for 1-azidotriacontane is CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCN=[N+]=[N-].
What is the InChIKey of 1-azidotriacontane?
The InChIKey is JABIDXRKILOWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H61N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-32-33-31/h2-30H2,1H3.
What are the key properties of 1-azidotriacontane?
1-azidotriacontane has a molecular weight of 463.84 g/mol, XLogP of 12.24, 29 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azidotriacontane is sourced from PubChem (CID 71752669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).