1-(2-phenylcyclopropyl)but-3-ynylhydrazine

C13H16N2 — CID 105281555

IUPAC1-(2-phenylcyclopropyl)but-3-ynylhydrazine
SMILESC#CCC(NN)C1CC1c1ccccc1
InChIInChI=1S/C13H16N2/c1-2-6-13(15-14)12-9-11(12)10-7-4-3-5-8-10/h1,3-5,7-8,11-13,15H,6,9,14H2
InChIKeyXLFOJFRGLBLJLA-UHFFFAOYSA-N
MW200.29 g/mol
LogP1.65
Rot. Bonds4

About 1-(2-phenylcyclopropyl)but-3-ynylhydrazine

1-(2-phenylcyclopropyl)but-3-ynylhydrazine (PubChem CID 105281555) has the molecular formula C13H16N2 and a molecular weight of 200.29 g/mol. Its IUPAC name is 1-(2-phenylcyclopropyl)but-3-ynylhydrazine.

Molecular Properties

Compound Name1-(2-phenylcyclopropyl)but-3-ynylhydrazine
PubChem CID105281555
Molecular FormulaC13H16N2
Molecular Weight200.29 g/mol
Exact Mass200.13
IUPAC Name1-(2-phenylcyclopropyl)but-3-ynylhydrazine
SMILESC#CCC(NN)C1CC1c1ccccc1
InChIInChI=1S/C13H16N2/c1-2-6-13(15-14)12-9-11(12)10-7-4-3-5-8-10/h1,3-5,7-8,11-13,15H,6,9,14H2
InChIKeyXLFOJFRGLBLJLA-UHFFFAOYSA-N
XLogP1.65
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 51.65
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

[2-ethoxy-1-(2-phenylcyclopropyl)ethyl]hydrazine
CID 105235457
[2-(2-bromophenyl)-1-(2-phenylcyclopropyl)ethyl]hydrazine
CID 105215061
[3-methoxy-1-(2-phenylcyclopropyl)butyl]hydrazine
CID 105267261
[2-(3,4-difluorophenyl)-1-(2-phenylcyclopropyl)ethyl]hydrazine
CID 105330409
[2-(4-methoxyphenyl)-1-(2-phenylcyclopropyl)ethyl]hydrazine
CID 105205565
[2-(4-bromophenyl)sulfanyl-1-(2-phenylcyclopropyl)ethyl]hydrazine
CID 105236080
[2-(5-bromo-2-pyridinyl)-1-(2-phenylcyclopropyl)ethyl]hydrazine
CID 105334602
[2-(1-methylpyrazol-4-yl)-1-(2-phenylcyclopropyl)ethyl]hydrazine
CID 105291195
[2-(4-bromo-2-chlorophenyl)-1-(2-phenylcyclopropyl)ethyl]hydrazine
CID 105335247
[2-(5-bromo-3-pyridinyl)-1-(2-phenylcyclopropyl)ethyl]hydrazine
CID 105334805
[3-(oxan-2-yl)-1-(2-phenylcyclopropyl)propyl]hydrazine
CID 105341453
N-methyl-1-(2-phenylcyclopropyl)prop-2-yn-1-amine
CID 104995936

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylcyclopropyl)but-3-ynylhydrazine?
The IUPAC name of 1-(2-phenylcyclopropyl)but-3-ynylhydrazine (CID 105281555) is 1-(2-phenylcyclopropyl)but-3-ynylhydrazine.
What is the SMILES notation for 1-(2-phenylcyclopropyl)but-3-ynylhydrazine?
The canonical SMILES for 1-(2-phenylcyclopropyl)but-3-ynylhydrazine is C#CCC(NN)C1CC1c1ccccc1.
What is the InChIKey of 1-(2-phenylcyclopropyl)but-3-ynylhydrazine?
The InChIKey is XLFOJFRGLBLJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-2-6-13(15-14)12-9-11(12)10-7-4-3-5-8-10/h1,3-5,7-8,11-13,15H,6,9,14H2.
What are the key properties of 1-(2-phenylcyclopropyl)but-3-ynylhydrazine?
1-(2-phenylcyclopropyl)but-3-ynylhydrazine has a molecular weight of 200.29 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylcyclopropyl)but-3-ynylhydrazine is sourced from PubChem (CID 105281555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).