4-(aminodiazenyl)-1-methylazepane

C7H16N4 — CID 122626427

IUPAC4-(aminodiazenyl)-1-methylazepane
SMILESCN1CCCC(/N=N/N)CC1
InChIInChI=1S/C7H16N4/c1-11-5-2-3-7(4-6-11)9-10-8/h7H,2-6H2,1H3,(H2,8,9)
InChIKeyIBSFLKMHUORIFY-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.80
Rot. Bonds1

About 4-(aminodiazenyl)-1-methylazepane

4-(aminodiazenyl)-1-methylazepane (PubChem CID 122626427) has the molecular formula C7H16N4 and a molecular weight of 156.23 g/mol. Its IUPAC name is 4-(aminodiazenyl)-1-methylazepane.

Molecular Properties

Compound Name4-(aminodiazenyl)-1-methylazepane
PubChem CID122626427
Molecular FormulaC7H16N4
Molecular Weight156.23 g/mol
Exact Mass156.14
IUPAC Name4-(aminodiazenyl)-1-methylazepane
SMILESCN1CCCC(/N=N/N)CC1
InChIInChI=1S/C7H16N4/c1-11-5-2-3-7(4-6-11)9-10-8/h7H,2-6H2,1H3,(H2,8,9)
InChIKeyIBSFLKMHUORIFY-UHFFFAOYSA-N
XLogP0.80
TPSA53.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.80
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 4-(aminodiazenyl)-1-methylazepane?
The IUPAC name of 4-(aminodiazenyl)-1-methylazepane (CID 122626427) is 4-(aminodiazenyl)-1-methylazepane.
What is the SMILES notation for 4-(aminodiazenyl)-1-methylazepane?
The canonical SMILES for 4-(aminodiazenyl)-1-methylazepane is CN1CCCC(/N=N/N)CC1.
What is the InChIKey of 4-(aminodiazenyl)-1-methylazepane?
The InChIKey is IBSFLKMHUORIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4/c1-11-5-2-3-7(4-6-11)9-10-8/h7H,2-6H2,1H3,(H2,8,9).
What are the key properties of 4-(aminodiazenyl)-1-methylazepane?
4-(aminodiazenyl)-1-methylazepane has a molecular weight of 156.23 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminodiazenyl)-1-methylazepane is sourced from PubChem (CID 122626427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).