1-(4-azidocyclohexyl)ethanol

C8H15N3O — CID 89393183

IUPAC1-(4-azidocyclohexyl)ethanol
SMILESCC(O)C1CCC(N=[N+]=[N-])CC1
InChIInChI=1S/C8H15N3O/c1-6(12)7-2-4-8(5-3-7)10-11-9/h6-8,12H,2-5H2,1H3
InChIKeyLPSJGZJJGUZONF-UHFFFAOYSA-N
MW169.23 g/mol
LogP2.24
Rot. Bonds2

About 1-(4-azidocyclohexyl)ethanol

1-(4-azidocyclohexyl)ethanol (PubChem CID 89393183) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 1-(4-azidocyclohexyl)ethanol.

Molecular Properties

Compound Name1-(4-azidocyclohexyl)ethanol
PubChem CID89393183
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name1-(4-azidocyclohexyl)ethanol
SMILESCC(O)C1CCC(N=[N+]=[N-])CC1
InChIInChI=1S/C8H15N3O/c1-6(12)7-2-4-8(5-3-7)10-11-9/h6-8,12H,2-5H2,1H3
InChIKeyLPSJGZJJGUZONF-UHFFFAOYSA-N
XLogP2.24
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1-(4-azidocyclohexyl)ethanol?
The IUPAC name of 1-(4-azidocyclohexyl)ethanol (CID 89393183) is 1-(4-azidocyclohexyl)ethanol.
What is the SMILES notation for 1-(4-azidocyclohexyl)ethanol?
The canonical SMILES for 1-(4-azidocyclohexyl)ethanol is CC(O)C1CCC(N=[N+]=[N-])CC1.
What is the InChIKey of 1-(4-azidocyclohexyl)ethanol?
The InChIKey is LPSJGZJJGUZONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-6(12)7-2-4-8(5-3-7)10-11-9/h6-8,12H,2-5H2,1H3.
What are the key properties of 1-(4-azidocyclohexyl)ethanol?
1-(4-azidocyclohexyl)ethanol has a molecular weight of 169.23 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-azidocyclohexyl)ethanol is sourced from PubChem (CID 89393183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).