5-(3-methylphenyl)pent-1-yn-3-ylhydrazine

C12H16N2 — CID 105315673

IUPAC5-(3-methylphenyl)pent-1-yn-3-ylhydrazine
SMILESC#CC(CCc1cccc(C)c1)NN
InChIInChI=1S/C12H16N2/c1-3-12(14-13)8-7-11-6-4-5-10(2)9-11/h1,4-6,9,12,14H,7-8,13H2,2H3
InChIKeyYCENWMXWWTWPHD-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.39
Rot. Bonds4

About 5-(3-methylphenyl)pent-1-yn-3-ylhydrazine

5-(3-methylphenyl)pent-1-yn-3-ylhydrazine (PubChem CID 105315673) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 5-(3-methylphenyl)pent-1-yn-3-ylhydrazine.

Molecular Properties

Compound Name5-(3-methylphenyl)pent-1-yn-3-ylhydrazine
PubChem CID105315673
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name5-(3-methylphenyl)pent-1-yn-3-ylhydrazine
SMILESC#CC(CCc1cccc(C)c1)NN
InChIInChI=1S/C12H16N2/c1-3-12(14-13)8-7-11-6-4-5-10(2)9-11/h1,4-6,9,12,14H,7-8,13H2,2H3
InChIKeyYCENWMXWWTWPHD-UHFFFAOYSA-N
XLogP1.39
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.39
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

[1-(3-methylphenyl)-5-phenylpentan-3-yl]hydrazine
CID 105285956
5-(3-methylphenyl)pent-1-en-3-ylhydrazine
CID 105318126
[4-ethyl-1-(3-methylphenyl)hexan-3-yl]hydrazine
CID 105324156
[6,6-dimethyl-1-(3-methylphenyl)heptan-3-yl]hydrazine
CID 105300120
1,4-bis(3-methylphenyl)butan-2-amine
CID 62390102
[1-cyclohexyl-3-(3-methylphenyl)propyl]hydrazine
CID 105282141
[1-(3,5-difluorophenyl)-4-(3-methylphenyl)butan-2-yl]hydrazine
CID 105413124
[1-cyclobutyl-4-(3-methylphenyl)butan-2-yl]hydrazine
CID 105310186
N-benzyl-1-(3-methylphenyl)but-3-yn-2-amine
CID 170413441
1-amino-4-(3-methylphenyl)butan-2-ol
CID 66581739
ethane;methanol;1-methyl-3-(3-methylbutyl)benzene
CID 144705800
[1-(2,3-difluorophenyl)-4-(3-methylphenyl)butan-2-yl]hydrazine
CID 105298035

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylphenyl)pent-1-yn-3-ylhydrazine?
The IUPAC name of 5-(3-methylphenyl)pent-1-yn-3-ylhydrazine (CID 105315673) is 5-(3-methylphenyl)pent-1-yn-3-ylhydrazine.
What is the SMILES notation for 5-(3-methylphenyl)pent-1-yn-3-ylhydrazine?
The canonical SMILES for 5-(3-methylphenyl)pent-1-yn-3-ylhydrazine is C#CC(CCc1cccc(C)c1)NN.
What is the InChIKey of 5-(3-methylphenyl)pent-1-yn-3-ylhydrazine?
The InChIKey is YCENWMXWWTWPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-3-12(14-13)8-7-11-6-4-5-10(2)9-11/h1,4-6,9,12,14H,7-8,13H2,2H3.
What are the key properties of 5-(3-methylphenyl)pent-1-yn-3-ylhydrazine?
5-(3-methylphenyl)pent-1-yn-3-ylhydrazine has a molecular weight of 188.27 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylphenyl)pent-1-yn-3-ylhydrazine is sourced from PubChem (CID 105315673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).