butan-2-ylhydrazine;dihydrate;hydrochloride

C4H17ClN2O2 — CID 86811571

IUPACbutan-2-ylhydrazine;dihydrate;hydrochloride
SMILESCCC(C)NN.Cl.O.O
InChIInChI=1S/C4H12N2.ClH.2H2O/c1-3-4(2)6-5;;;/h4,6H,3,5H2,1-2H3;1H;2*1H2
InChIKeyWJPDTKICKSWDOO-UHFFFAOYSA-N
MW160.65 g/mol
LogP-0.98
Rot. Bonds2

About butan-2-ylhydrazine;dihydrate;hydrochloride

butan-2-ylhydrazine;dihydrate;hydrochloride (PubChem CID 86811571) has the molecular formula C4H17ClN2O2 and a molecular weight of 160.65 g/mol. Its IUPAC name is butan-2-ylhydrazine;dihydrate;hydrochloride.

Molecular Properties

Compound Namebutan-2-ylhydrazine;dihydrate;hydrochloride
PubChem CID86811571
Molecular FormulaC4H17ClN2O2
Molecular Weight160.65 g/mol
Exact Mass160.10
IUPAC Namebutan-2-ylhydrazine;dihydrate;hydrochloride
SMILESCCC(C)NN.Cl.O.O
InChIInChI=1S/C4H12N2.ClH.2H2O/c1-3-4(2)6-5;;;/h4,6H,3,5H2,1-2H3;1H;2*1H2
InChIKeyWJPDTKICKSWDOO-UHFFFAOYSA-N
XLogP-0.98
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.65
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze butan-2-ylhydrazine;dihydrate;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of butan-2-ylhydrazine;dihydrate;hydrochloride?
The IUPAC name of butan-2-ylhydrazine;dihydrate;hydrochloride (CID 86811571) is butan-2-ylhydrazine;dihydrate;hydrochloride.
What is the SMILES notation for butan-2-ylhydrazine;dihydrate;hydrochloride?
The canonical SMILES for butan-2-ylhydrazine;dihydrate;hydrochloride is CCC(C)NN.Cl.O.O.
What is the InChIKey of butan-2-ylhydrazine;dihydrate;hydrochloride?
The InChIKey is WJPDTKICKSWDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2.ClH.2H2O/c1-3-4(2)6-5;;;/h4,6H,3,5H2,1-2H3;1H;2*1H2.
What are the key properties of butan-2-ylhydrazine;dihydrate;hydrochloride?
butan-2-ylhydrazine;dihydrate;hydrochloride has a molecular weight of 160.65 g/mol, XLogP of -0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-ylhydrazine;dihydrate;hydrochloride is sourced from PubChem (CID 86811571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).