(4-methyl-4-phenylpent-1-yn-3-yl)hydrazine

C12H16N2 — CID 105216357

IUPAC(4-methyl-4-phenylpent-1-yn-3-yl)hydrazine
SMILESC#CC(NN)C(C)(C)c1ccccc1
InChIInChI=1S/C12H16N2/c1-4-11(14-13)12(2,3)10-8-6-5-7-9-10/h1,5-9,11,14H,13H2,2-3H3
InChIKeyYQWDHTBBUPRIQR-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.43
Rot. Bonds3

About (4-methyl-4-phenylpent-1-yn-3-yl)hydrazine

(4-methyl-4-phenylpent-1-yn-3-yl)hydrazine (PubChem CID 105216357) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is (4-methyl-4-phenylpent-1-yn-3-yl)hydrazine.

Molecular Properties

Compound Name(4-methyl-4-phenylpent-1-yn-3-yl)hydrazine
PubChem CID105216357
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name(4-methyl-4-phenylpent-1-yn-3-yl)hydrazine
SMILESC#CC(NN)C(C)(C)c1ccccc1
InChIInChI=1S/C12H16N2/c1-4-11(14-13)12(2,3)10-8-6-5-7-9-10/h1,5-9,11,14H,13H2,2-3H3
InChIKeyYQWDHTBBUPRIQR-UHFFFAOYSA-N
XLogP1.43
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.43
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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Frequently Asked Questions

What is the IUPAC name of (4-methyl-4-phenylpent-1-yn-3-yl)hydrazine?
The IUPAC name of (4-methyl-4-phenylpent-1-yn-3-yl)hydrazine (CID 105216357) is (4-methyl-4-phenylpent-1-yn-3-yl)hydrazine.
What is the SMILES notation for (4-methyl-4-phenylpent-1-yn-3-yl)hydrazine?
The canonical SMILES for (4-methyl-4-phenylpent-1-yn-3-yl)hydrazine is C#CC(NN)C(C)(C)c1ccccc1.
What is the InChIKey of (4-methyl-4-phenylpent-1-yn-3-yl)hydrazine?
The InChIKey is YQWDHTBBUPRIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-4-11(14-13)12(2,3)10-8-6-5-7-9-10/h1,5-9,11,14H,13H2,2-3H3.
What are the key properties of (4-methyl-4-phenylpent-1-yn-3-yl)hydrazine?
(4-methyl-4-phenylpent-1-yn-3-yl)hydrazine has a molecular weight of 188.27 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-4-phenylpent-1-yn-3-yl)hydrazine is sourced from PubChem (CID 105216357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).