1-(3,5-dimethylphenyl)prop-2-ynylhydrazine

C11H14N2 — CID 105315594

IUPAC1-(3,5-dimethylphenyl)prop-2-ynylhydrazine
SMILESC#CC(NN)c1cc(C)cc(C)c1
InChIInChI=1S/C11H14N2/c1-4-11(13-12)10-6-8(2)5-9(3)7-10/h1,5-7,11,13H,12H2,2-3H3
InChIKeyFMDATALFEIBNIZ-UHFFFAOYSA-N
MW174.25 g/mol
LogP1.44
Rot. Bonds2

About 1-(3,5-dimethylphenyl)prop-2-ynylhydrazine

1-(3,5-dimethylphenyl)prop-2-ynylhydrazine (PubChem CID 105315594) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)prop-2-ynylhydrazine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)prop-2-ynylhydrazine
PubChem CID105315594
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name1-(3,5-dimethylphenyl)prop-2-ynylhydrazine
SMILESC#CC(NN)c1cc(C)cc(C)c1
InChIInChI=1S/C11H14N2/c1-4-11(13-12)10-6-8(2)5-9(3)7-10/h1,5-7,11,13H,12H2,2-3H3
InChIKeyFMDATALFEIBNIZ-UHFFFAOYSA-N
XLogP1.44
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 51.44
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-(4-tert-butylphenyl)prop-2-ynylhydrazine
CID 105315640
bis(3,5-dimethylphenyl)methanamine
CID 115796405
1-(4-fluoro-3-methoxyphenyl)prop-2-ynylhydrazine
CID 105315530
N-but-3-yn-2-yl-1-(3,5-dimethylphenyl)ethane-1,2-diamine
CID 114415987
1-(2,4,5-trimethoxyphenyl)prop-2-ynylhydrazine
CID 105315476
[1-(3,5-dimethylphenyl)-2,3-dimethylbutyl]hydrazine
CID 105286793
[1-(3,5-dimethylphenyl)-2,2-dimethoxyethyl]hydrazine
CID 105246161
1-(3-propoxyphenyl)prop-2-ynylhydrazine
CID 105315638
1-(3-ethyl-6-methylpyridazin-4-yl)prop-2-ynylhydrazine
CID 105315660
1-(3-bromo-5-methylphenyl)prop-2-yn-1-amine
CID 104995623
1-(3-chloro-5-methylphenyl)prop-2-yn-1-amine
CID 104995945
[(3,5-dimethylphenyl)-(1-methoxycyclopentyl)methyl]hydrazine
CID 105268838

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)prop-2-ynylhydrazine?
The IUPAC name of 1-(3,5-dimethylphenyl)prop-2-ynylhydrazine (CID 105315594) is 1-(3,5-dimethylphenyl)prop-2-ynylhydrazine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)prop-2-ynylhydrazine?
The canonical SMILES for 1-(3,5-dimethylphenyl)prop-2-ynylhydrazine is C#CC(NN)c1cc(C)cc(C)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)prop-2-ynylhydrazine?
The InChIKey is FMDATALFEIBNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-4-11(13-12)10-6-8(2)5-9(3)7-10/h1,5-7,11,13H,12H2,2-3H3.
What are the key properties of 1-(3,5-dimethylphenyl)prop-2-ynylhydrazine?
1-(3,5-dimethylphenyl)prop-2-ynylhydrazine has a molecular weight of 174.25 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)prop-2-ynylhydrazine is sourced from PubChem (CID 105315594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).