3,3-dimethylpentyldiazene

C7H16N2 — CID 89324765

IUPAC3,3-dimethylpentyldiazene
SMILES[H]/N=N/CCC(C)(C)CC
InChIInChI=1S/C7H16N2/c1-4-7(2,3)5-6-9-8/h8H,4-6H2,1-3H3/b9-8+
InChIKeyVPEBJODYYLCACM-CMDGGOBGSA-N
MW128.22 g/mol
LogP2.84
Rot. Bonds4

About 3,3-dimethylpentyldiazene

3,3-dimethylpentyldiazene (PubChem CID 89324765) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is 3,3-dimethylpentyldiazene.

Molecular Properties

Compound Name3,3-dimethylpentyldiazene
PubChem CID89324765
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name3,3-dimethylpentyldiazene
SMILES[H]/N=N/CCC(C)(C)CC
InChIInChI=1S/C7H16N2/c1-4-7(2,3)5-6-9-8/h8H,4-6H2,1-3H3/b9-8+
InChIKeyVPEBJODYYLCACM-CMDGGOBGSA-N
XLogP2.84
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 52.84
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'}

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylpentyldiazene?
The IUPAC name of 3,3-dimethylpentyldiazene (CID 89324765) is 3,3-dimethylpentyldiazene.
What is the SMILES notation for 3,3-dimethylpentyldiazene?
The canonical SMILES for 3,3-dimethylpentyldiazene is [H]/N=N/CCC(C)(C)CC.
What is the InChIKey of 3,3-dimethylpentyldiazene?
The InChIKey is VPEBJODYYLCACM-CMDGGOBGSA-N. The full InChI is InChI=1S/C7H16N2/c1-4-7(2,3)5-6-9-8/h8H,4-6H2,1-3H3/b9-8+.
What are the key properties of 3,3-dimethylpentyldiazene?
3,3-dimethylpentyldiazene has a molecular weight of 128.22 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylpentyldiazene is sourced from PubChem (CID 89324765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).