1-diazenyl-2-methylbutan-2-ol

C5H12N2O — CID 118963685

IUPAC1-diazenyl-2-methylbutan-2-ol
SMILES[H]/N=N/CC(C)(O)CC
InChIInChI=1S/C5H12N2O/c1-3-5(2,8)4-7-6/h6,8H,3-4H2,1-2H3/b7-6+
InChIKeyHRFFELGORTZSQZ-VOTSOKGWSA-N
MW116.16 g/mol
LogP1.18
Rot. Bonds3

About 1-diazenyl-2-methylbutan-2-ol

1-diazenyl-2-methylbutan-2-ol (PubChem CID 118963685) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is 1-diazenyl-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-diazenyl-2-methylbutan-2-ol
PubChem CID118963685
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC Name1-diazenyl-2-methylbutan-2-ol
SMILES[H]/N=N/CC(C)(O)CC
InChIInChI=1S/C5H12N2O/c1-3-5(2,8)4-7-6/h6,8H,3-4H2,1-2H3/b7-6+
InChIKeyHRFFELGORTZSQZ-VOTSOKGWSA-N
XLogP1.18
TPSA56.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 1-diazenyl-2-methylbutan-2-ol?
The IUPAC name of 1-diazenyl-2-methylbutan-2-ol (CID 118963685) is 1-diazenyl-2-methylbutan-2-ol.
What is the SMILES notation for 1-diazenyl-2-methylbutan-2-ol?
The canonical SMILES for 1-diazenyl-2-methylbutan-2-ol is [H]/N=N/CC(C)(O)CC.
What is the InChIKey of 1-diazenyl-2-methylbutan-2-ol?
The InChIKey is HRFFELGORTZSQZ-VOTSOKGWSA-N. The full InChI is InChI=1S/C5H12N2O/c1-3-5(2,8)4-7-6/h6,8H,3-4H2,1-2H3/b7-6+.
What are the key properties of 1-diazenyl-2-methylbutan-2-ol?
1-diazenyl-2-methylbutan-2-ol has a molecular weight of 116.16 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diazenyl-2-methylbutan-2-ol is sourced from PubChem (CID 118963685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).