3-azidopentadecane

C15H31N3 — CID 134855825

IUPAC3-azidopentadecane
SMILESCCCCCCCCCCCCC(CC)N=[N+]=[N-]
InChIInChI=1S/C15H31N3/c1-3-5-6-7-8-9-10-11-12-13-14-15(4-2)17-18-16/h15H,3-14H2,1-2H3
InChIKeyHLCRNCKVZYDISW-UHFFFAOYSA-N
MW253.43 g/mol
LogP6.39
Rot. Bonds13

About 3-azidopentadecane

3-azidopentadecane (PubChem CID 134855825) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is 3-azidopentadecane.

Molecular Properties

Compound Name3-azidopentadecane
PubChem CID134855825
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name3-azidopentadecane
SMILESCCCCCCCCCCCCC(CC)N=[N+]=[N-]
InChIInChI=1S/C15H31N3/c1-3-5-6-7-8-9-10-11-12-13-14-15(4-2)17-18-16/h15H,3-14H2,1-2H3
InChIKeyHLCRNCKVZYDISW-UHFFFAOYSA-N
XLogP6.39
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.43
LogP ≤ 56.39
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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Frequently Asked Questions

What is the IUPAC name of 3-azidopentadecane?
The IUPAC name of 3-azidopentadecane (CID 134855825) is 3-azidopentadecane.
What is the SMILES notation for 3-azidopentadecane?
The canonical SMILES for 3-azidopentadecane is CCCCCCCCCCCCC(CC)N=[N+]=[N-].
What is the InChIKey of 3-azidopentadecane?
The InChIKey is HLCRNCKVZYDISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-3-5-6-7-8-9-10-11-12-13-14-15(4-2)17-18-16/h15H,3-14H2,1-2H3.
What are the key properties of 3-azidopentadecane?
3-azidopentadecane has a molecular weight of 253.43 g/mol, XLogP of 6.39, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azidopentadecane is sourced from PubChem (CID 134855825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).