1-(aminodiazenyl)-3-methylbutane

C5H13N3 — CID 90443310

IUPAC1-(aminodiazenyl)-3-methylbutane
SMILESCC(C)CC/N=N/N
InChIInChI=1S/C5H13N3/c1-5(2)3-4-7-8-6/h5H,3-4H2,1-2H3,(H2,6,7)
InChIKeyWTWXMIVWCPRVSG-UHFFFAOYSA-N
MW115.18 g/mol
LogP1.36
Rot. Bonds3

About 1-(aminodiazenyl)-3-methylbutane

1-(aminodiazenyl)-3-methylbutane (PubChem CID 90443310) has the molecular formula C5H13N3 and a molecular weight of 115.18 g/mol. Its IUPAC name is 1-(aminodiazenyl)-3-methylbutane.

Molecular Properties

Compound Name1-(aminodiazenyl)-3-methylbutane
PubChem CID90443310
Molecular FormulaC5H13N3
Molecular Weight115.18 g/mol
Exact Mass115.11
IUPAC Name1-(aminodiazenyl)-3-methylbutane
SMILESCC(C)CC/N=N/N
InChIInChI=1S/C5H13N3/c1-5(2)3-4-7-8-6/h5H,3-4H2,1-2H3,(H2,6,7)
InChIKeyWTWXMIVWCPRVSG-UHFFFAOYSA-N
XLogP1.36
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)-3-methylbutane?
The IUPAC name of 1-(aminodiazenyl)-3-methylbutane (CID 90443310) is 1-(aminodiazenyl)-3-methylbutane.
What is the SMILES notation for 1-(aminodiazenyl)-3-methylbutane?
The canonical SMILES for 1-(aminodiazenyl)-3-methylbutane is CC(C)CC/N=N/N.
What is the InChIKey of 1-(aminodiazenyl)-3-methylbutane?
The InChIKey is WTWXMIVWCPRVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3/c1-5(2)3-4-7-8-6/h5H,3-4H2,1-2H3,(H2,6,7).
What are the key properties of 1-(aminodiazenyl)-3-methylbutane?
1-(aminodiazenyl)-3-methylbutane has a molecular weight of 115.18 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminodiazenyl)-3-methylbutane is sourced from PubChem (CID 90443310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).