1-(aminodiazenyl)-3-methoxypropane

C4H11N3O — CID 53441469

IUPAC1-(aminodiazenyl)-3-methoxypropane
SMILESCOCCC/N=N/N
InChIInChI=1S/C4H11N3O/c1-8-4-2-3-6-7-5/h2-4H2,1H3,(H2,5,6)
InChIKeyPAZSKEMOMKNFPI-UHFFFAOYSA-N
MW117.15 g/mol
LogP0.35
Rot. Bonds4

About 1-(aminodiazenyl)-3-methoxypropane

1-(aminodiazenyl)-3-methoxypropane (PubChem CID 53441469) has the molecular formula C4H11N3O and a molecular weight of 117.15 g/mol. Its IUPAC name is 1-(aminodiazenyl)-3-methoxypropane.

Molecular Properties

Compound Name1-(aminodiazenyl)-3-methoxypropane
PubChem CID53441469
Molecular FormulaC4H11N3O
Molecular Weight117.15 g/mol
Exact Mass117.09
IUPAC Name1-(aminodiazenyl)-3-methoxypropane
SMILESCOCCC/N=N/N
InChIInChI=1S/C4H11N3O/c1-8-4-2-3-6-7-5/h2-4H2,1H3,(H2,5,6)
InChIKeyPAZSKEMOMKNFPI-UHFFFAOYSA-N
XLogP0.35
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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)-3-methoxypropane?
The IUPAC name of 1-(aminodiazenyl)-3-methoxypropane (CID 53441469) is 1-(aminodiazenyl)-3-methoxypropane.
What is the SMILES notation for 1-(aminodiazenyl)-3-methoxypropane?
The canonical SMILES for 1-(aminodiazenyl)-3-methoxypropane is COCCC/N=N/N.
What is the InChIKey of 1-(aminodiazenyl)-3-methoxypropane?
The InChIKey is PAZSKEMOMKNFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3O/c1-8-4-2-3-6-7-5/h2-4H2,1H3,(H2,5,6).
What are the key properties of 1-(aminodiazenyl)-3-methoxypropane?
1-(aminodiazenyl)-3-methoxypropane has a molecular weight of 117.15 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminodiazenyl)-3-methoxypropane is sourced from PubChem (CID 53441469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).