1-azidooctane;hydrochloride

C8H18ClN3 — CID 175871639

IUPAC1-azidooctane;hydrochloride
SMILESCCCCCCCCN=[N+]=[N-].Cl
InChIInChI=1S/C8H17N3.ClH/c1-2-3-4-5-6-7-8-10-11-9;/h2-8H2,1H3;1H
InChIKeyXSTOKCCLSZZRGL-UHFFFAOYSA-N
MW191.71 g/mol
LogP4.08
Rot. Bonds7

About 1-azidooctane;hydrochloride

1-azidooctane;hydrochloride (PubChem CID 175871639) has the molecular formula C8H18ClN3 and a molecular weight of 191.71 g/mol. Its IUPAC name is 1-azidooctane;hydrochloride.

Molecular Properties

Compound Name1-azidooctane;hydrochloride
PubChem CID175871639
Molecular FormulaC8H18ClN3
Molecular Weight191.71 g/mol
Exact Mass191.12
IUPAC Name1-azidooctane;hydrochloride
SMILESCCCCCCCCN=[N+]=[N-].Cl
InChIInChI=1S/C8H17N3.ClH/c1-2-3-4-5-6-7-8-10-11-9;/h2-8H2,1H3;1H
InChIKeyXSTOKCCLSZZRGL-UHFFFAOYSA-N
XLogP4.08
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.71
LogP ≤ 54.08
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 1-azidooctane;hydrochloride?
The IUPAC name of 1-azidooctane;hydrochloride (CID 175871639) is 1-azidooctane;hydrochloride.
What is the SMILES notation for 1-azidooctane;hydrochloride?
The canonical SMILES for 1-azidooctane;hydrochloride is CCCCCCCCN=[N+]=[N-].Cl.
What is the InChIKey of 1-azidooctane;hydrochloride?
The InChIKey is XSTOKCCLSZZRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3.ClH/c1-2-3-4-5-6-7-8-10-11-9;/h2-8H2,1H3;1H.
What are the key properties of 1-azidooctane;hydrochloride?
1-azidooctane;hydrochloride has a molecular weight of 191.71 g/mol, XLogP of 4.08, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azidooctane;hydrochloride is sourced from PubChem (CID 175871639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).