2-azidooctane

C8H17N3 — CID 11332588

IUPAC2-azidooctane
SMILESCCCCCCC(C)N=[N+]=[N-]
InChIInChI=1S/C8H17N3/c1-3-4-5-6-7-8(2)10-11-9/h8H,3-7H2,1-2H3
InChIKeyOTIICZMNRMYWLV-UHFFFAOYSA-N
MW155.25 g/mol
LogP3.66
Rot. Bonds6

About 2-azidooctane

2-azidooctane (PubChem CID 11332588) has the molecular formula C8H17N3 and a molecular weight of 155.25 g/mol. Its IUPAC name is 2-azidooctane.

Molecular Properties

Compound Name2-azidooctane
PubChem CID11332588
Molecular FormulaC8H17N3
Molecular Weight155.25 g/mol
Exact Mass155.14
IUPAC Name2-azidooctane
SMILESCCCCCCC(C)N=[N+]=[N-]
InChIInChI=1S/C8H17N3/c1-3-4-5-6-7-8(2)10-11-9/h8H,3-7H2,1-2H3
InChIKeyOTIICZMNRMYWLV-UHFFFAOYSA-N
XLogP3.66
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.25
LogP ≤ 53.66
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 2-azidooctane?
The IUPAC name of 2-azidooctane (CID 11332588) is 2-azidooctane.
What is the SMILES notation for 2-azidooctane?
The canonical SMILES for 2-azidooctane is CCCCCCC(C)N=[N+]=[N-].
What is the InChIKey of 2-azidooctane?
The InChIKey is OTIICZMNRMYWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3/c1-3-4-5-6-7-8(2)10-11-9/h8H,3-7H2,1-2H3.
What are the key properties of 2-azidooctane?
2-azidooctane has a molecular weight of 155.25 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azidooctane is sourced from PubChem (CID 11332588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).