3-azidopentane

C5H11N3 — CID 19966832

IUPAC3-azidopentane
SMILESCCC(CC)N=[N+]=[N-]
InChIInChI=1S/C5H11N3/c1-3-5(4-2)7-8-6/h5H,3-4H2,1-2H3
InChIKeyJQESRCCJBPXGFL-UHFFFAOYSA-N
MW113.16 g/mol
LogP2.49
Rot. Bonds3

About 3-azidopentane

3-azidopentane (PubChem CID 19966832) has the molecular formula C5H11N3 and a molecular weight of 113.16 g/mol. Its IUPAC name is 3-azidopentane.

Molecular Properties

Compound Name3-azidopentane
PubChem CID19966832
Molecular FormulaC5H11N3
Molecular Weight113.16 g/mol
Exact Mass113.10
IUPAC Name3-azidopentane
SMILESCCC(CC)N=[N+]=[N-]
InChIInChI=1S/C5H11N3/c1-3-5(4-2)7-8-6/h5H,3-4H2,1-2H3
InChIKeyJQESRCCJBPXGFL-UHFFFAOYSA-N
XLogP2.49
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', '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-azidopentane?
The IUPAC name of 3-azidopentane (CID 19966832) is 3-azidopentane.
What is the SMILES notation for 3-azidopentane?
The canonical SMILES for 3-azidopentane is CCC(CC)N=[N+]=[N-].
What is the InChIKey of 3-azidopentane?
The InChIKey is JQESRCCJBPXGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3/c1-3-5(4-2)7-8-6/h5H,3-4H2,1-2H3.
What are the key properties of 3-azidopentane?
3-azidopentane has a molecular weight of 113.16 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azidopentane is sourced from PubChem (CID 19966832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).