1-(aminodiazenyl)-4-propan-2-yloxybenzene

C9H13N3O — CID 129114930

IUPAC1-(aminodiazenyl)-4-propan-2-yloxybenzene
SMILESCC(C)Oc1ccc(/N=N/N)cc1
InChIInChI=1S/C9H13N3O/c1-7(2)13-9-5-3-8(4-6-9)11-12-10/h3-7H,1-2H3,(H2,10,11)
InChIKeyRAFWPLFHOHNQEO-UHFFFAOYSA-N
MW179.22 g/mol
LogP2.43
Rot. Bonds3

About 1-(aminodiazenyl)-4-propan-2-yloxybenzene

1-(aminodiazenyl)-4-propan-2-yloxybenzene (PubChem CID 129114930) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 1-(aminodiazenyl)-4-propan-2-yloxybenzene.

Molecular Properties

Compound Name1-(aminodiazenyl)-4-propan-2-yloxybenzene
PubChem CID129114930
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name1-(aminodiazenyl)-4-propan-2-yloxybenzene
SMILESCC(C)Oc1ccc(/N=N/N)cc1
InChIInChI=1S/C9H13N3O/c1-7(2)13-9-5-3-8(4-6-9)11-12-10/h3-7H,1-2H3,(H2,10,11)
InChIKeyRAFWPLFHOHNQEO-UHFFFAOYSA-N
XLogP2.43
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(aminodiazenyl)-4-propan-2-yloxybenzene?
The IUPAC name of 1-(aminodiazenyl)-4-propan-2-yloxybenzene (CID 129114930) is 1-(aminodiazenyl)-4-propan-2-yloxybenzene.
What is the SMILES notation for 1-(aminodiazenyl)-4-propan-2-yloxybenzene?
The canonical SMILES for 1-(aminodiazenyl)-4-propan-2-yloxybenzene is CC(C)Oc1ccc(/N=N/N)cc1.
What is the InChIKey of 1-(aminodiazenyl)-4-propan-2-yloxybenzene?
The InChIKey is RAFWPLFHOHNQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-7(2)13-9-5-3-8(4-6-9)11-12-10/h3-7H,1-2H3,(H2,10,11).
What are the key properties of 1-(aminodiazenyl)-4-propan-2-yloxybenzene?
1-(aminodiazenyl)-4-propan-2-yloxybenzene has a molecular weight of 179.22 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminodiazenyl)-4-propan-2-yloxybenzene is sourced from PubChem (CID 129114930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).