butan-2-ylhydrazine;hydrochloride

C4H13ClN2 — CID 43819151

IUPACbutan-2-ylhydrazine;hydrochloride
SMILESCCC(C)NN.Cl
InChIInChI=1S/C4H12N2.ClH/c1-3-4(2)6-5;/h4,6H,3,5H2,1-2H3;1H
InChIKeyMAOHZRUELSGCPI-UHFFFAOYSA-N
MW124.61 g/mol
LogP0.67
Rot. Bonds2

About butan-2-ylhydrazine;hydrochloride

butan-2-ylhydrazine;hydrochloride (PubChem CID 43819151) has the molecular formula C4H13ClN2 and a molecular weight of 124.61 g/mol. Its IUPAC name is butan-2-ylhydrazine;hydrochloride.

Molecular Properties

Compound Namebutan-2-ylhydrazine;hydrochloride
PubChem CID43819151
Molecular FormulaC4H13ClN2
Molecular Weight124.61 g/mol
Exact Mass124.08
IUPAC Namebutan-2-ylhydrazine;hydrochloride
SMILESCCC(C)NN.Cl
InChIInChI=1S/C4H12N2.ClH/c1-3-4(2)6-5;/h4,6H,3,5H2,1-2H3;1H
InChIKeyMAOHZRUELSGCPI-UHFFFAOYSA-N
XLogP0.67
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.61
LogP ≤ 50.67
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'}

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Frequently Asked Questions

What is the IUPAC name of butan-2-ylhydrazine;hydrochloride?
The IUPAC name of butan-2-ylhydrazine;hydrochloride (CID 43819151) is butan-2-ylhydrazine;hydrochloride.
What is the SMILES notation for butan-2-ylhydrazine;hydrochloride?
The canonical SMILES for butan-2-ylhydrazine;hydrochloride is CCC(C)NN.Cl.
What is the InChIKey of butan-2-ylhydrazine;hydrochloride?
The InChIKey is MAOHZRUELSGCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2.ClH/c1-3-4(2)6-5;/h4,6H,3,5H2,1-2H3;1H.
What are the key properties of butan-2-ylhydrazine;hydrochloride?
butan-2-ylhydrazine;hydrochloride has a molecular weight of 124.61 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-ylhydrazine;hydrochloride is sourced from PubChem (CID 43819151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).