[2-(3-chlorophenyl)-1-cyclobutylethyl]hydrazine

C12H17ClN2 — CID 105195049

IUPAC[2-(3-chlorophenyl)-1-cyclobutylethyl]hydrazine
SMILESNNC(Cc1cccc(Cl)c1)C1CCC1
InChIInChI=1S/C12H17ClN2/c13-11-6-1-3-9(7-11)8-12(15-14)10-4-2-5-10/h1,3,6-7,10,12,15H,2,4-5,8,14H2
InChIKeyRQGFPYSQCGIIHX-UHFFFAOYSA-N
MW224.74 g/mol
LogP2.51
Rot. Bonds4

About [2-(3-chlorophenyl)-1-cyclobutylethyl]hydrazine

[2-(3-chlorophenyl)-1-cyclobutylethyl]hydrazine (PubChem CID 105195049) has the molecular formula C12H17ClN2 and a molecular weight of 224.74 g/mol. Its IUPAC name is [2-(3-chlorophenyl)-1-cyclobutylethyl]hydrazine.

Molecular Properties

Compound Name[2-(3-chlorophenyl)-1-cyclobutylethyl]hydrazine
PubChem CID105195049
Molecular FormulaC12H17ClN2
Molecular Weight224.74 g/mol
Exact Mass224.11
IUPAC Name[2-(3-chlorophenyl)-1-cyclobutylethyl]hydrazine
SMILESNNC(Cc1cccc(Cl)c1)C1CCC1
InChIInChI=1S/C12H17ClN2/c13-11-6-1-3-9(7-11)8-12(15-14)10-4-2-5-10/h1,3,6-7,10,12,15H,2,4-5,8,14H2
InChIKeyRQGFPYSQCGIIHX-UHFFFAOYSA-N
XLogP2.51
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.74
LogP ≤ 52.51
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 [2-(3-chlorophenyl)-1-cyclobutylethyl]hydrazine?
The IUPAC name of [2-(3-chlorophenyl)-1-cyclobutylethyl]hydrazine (CID 105195049) is [2-(3-chlorophenyl)-1-cyclobutylethyl]hydrazine.
What is the SMILES notation for [2-(3-chlorophenyl)-1-cyclobutylethyl]hydrazine?
The canonical SMILES for [2-(3-chlorophenyl)-1-cyclobutylethyl]hydrazine is NNC(Cc1cccc(Cl)c1)C1CCC1.
What is the InChIKey of [2-(3-chlorophenyl)-1-cyclobutylethyl]hydrazine?
The InChIKey is RQGFPYSQCGIIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c13-11-6-1-3-9(7-11)8-12(15-14)10-4-2-5-10/h1,3,6-7,10,12,15H,2,4-5,8,14H2.
What are the key properties of [2-(3-chlorophenyl)-1-cyclobutylethyl]hydrazine?
[2-(3-chlorophenyl)-1-cyclobutylethyl]hydrazine has a molecular weight of 224.74 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chlorophenyl)-1-cyclobutylethyl]hydrazine is sourced from PubChem (CID 105195049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).