3-diazenyl-2-methylpropan-1-ol

C4H10N2O — CID 146913310

IUPAC3-diazenyl-2-methylpropan-1-ol
SMILES[H]/N=N/CC(C)CO
InChIInChI=1S/C4H10N2O/c1-4(3-7)2-6-5/h4-5,7H,2-3H2,1H3/b6-5+
InChIKeyABSRFPPBNJQPDL-AATRIKPKSA-N
MW102.14 g/mol
LogP0.65
Rot. Bonds3

About 3-diazenyl-2-methylpropan-1-ol

3-diazenyl-2-methylpropan-1-ol (PubChem CID 146913310) has the molecular formula C4H10N2O and a molecular weight of 102.14 g/mol. Its IUPAC name is 3-diazenyl-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-diazenyl-2-methylpropan-1-ol
PubChem CID146913310
Molecular FormulaC4H10N2O
Molecular Weight102.14 g/mol
Exact Mass102.08
IUPAC Name3-diazenyl-2-methylpropan-1-ol
SMILES[H]/N=N/CC(C)CO
InChIInChI=1S/C4H10N2O/c1-4(3-7)2-6-5/h4-5,7H,2-3H2,1H3/b6-5+
InChIKeyABSRFPPBNJQPDL-AATRIKPKSA-N
XLogP0.65
TPSA56.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.14
LogP ≤ 50.65
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'}

Analyze 3-diazenyl-2-methylpropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R)-2-methylbutyl]diazene
CID 88856241
ethane;2-methylpropane-1,3-diol
CID 87127502
2,4-dimethylpentane-1,5-diol
CID 10964552
5-hydroxy-4-methylpentanimidamide
CID 91614670
1-cyclopropyl-2-(3-hydroxy-2-methylpropyl)guanidine
CID 62411955
4-imino-2-methylheptan-1-ol
CID 175272067
2-amino-4-methylpentane-1,5-diol
CID 72526972
sodium;2-methylpropan-1-ol;chloride
CID 172733950
2,6-dimethylheptane-1,7-diol
CID 12653721
2-methylbutan-1-ol;zirconium
CID 152608404
(2R,6R)-2,6-dimethylheptane-1,7-diol
CID 10534981
tetrakis(3-hydroxy-2-methylpropyl)azanium
CID 19093143

Frequently Asked Questions

What is the IUPAC name of 3-diazenyl-2-methylpropan-1-ol?
The IUPAC name of 3-diazenyl-2-methylpropan-1-ol (CID 146913310) is 3-diazenyl-2-methylpropan-1-ol.
What is the SMILES notation for 3-diazenyl-2-methylpropan-1-ol?
The canonical SMILES for 3-diazenyl-2-methylpropan-1-ol is [H]/N=N/CC(C)CO.
What is the InChIKey of 3-diazenyl-2-methylpropan-1-ol?
The InChIKey is ABSRFPPBNJQPDL-AATRIKPKSA-N. The full InChI is InChI=1S/C4H10N2O/c1-4(3-7)2-6-5/h4-5,7H,2-3H2,1H3/b6-5+.
What are the key properties of 3-diazenyl-2-methylpropan-1-ol?
3-diazenyl-2-methylpropan-1-ol has a molecular weight of 102.14 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diazenyl-2-methylpropan-1-ol is sourced from PubChem (CID 146913310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).