1-(4-tert-butylphenyl)prop-2-ynylhydrazine

C13H18N2 — CID 105315640

IUPAC1-(4-tert-butylphenyl)prop-2-ynylhydrazine
SMILESC#CC(NN)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C13H18N2/c1-5-12(15-14)10-6-8-11(9-7-10)13(2,3)4/h1,6-9,12,15H,14H2,2-4H3
InChIKeyIQWLEYSCAHJMMF-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.12
Rot. Bonds2

About 1-(4-tert-butylphenyl)prop-2-ynylhydrazine

1-(4-tert-butylphenyl)prop-2-ynylhydrazine (PubChem CID 105315640) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)prop-2-ynylhydrazine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)prop-2-ynylhydrazine
PubChem CID105315640
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name1-(4-tert-butylphenyl)prop-2-ynylhydrazine
SMILESC#CC(NN)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C13H18N2/c1-5-12(15-14)10-6-8-11(9-7-10)13(2,3)4/h1,6-9,12,15H,14H2,2-4H3
InChIKeyIQWLEYSCAHJMMF-UHFFFAOYSA-N
XLogP2.12
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.12
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

N-[(1R)-1-(4-tert-butylphenyl)prop-2-ynyl]-2-methylpropan-2-amine
CID 90210200
1-(3,5-dimethylphenyl)prop-2-ynylhydrazine
CID 105315594
2-methyl-N-[(1R)-1-(4-propan-2-ylphenyl)prop-2-ynyl]propan-2-amine
CID 146212797
[1-(4-tert-butylphenyl)-3,3-dimethylbutyl]hydrazine
CID 105220487
1-(4-fluoro-3-methoxyphenyl)prop-2-ynylhydrazine
CID 105315530
1-(3,4-diethoxyphenyl)prop-2-ynylhydrazine
CID 105315456
1-quinoxalin-6-ylprop-2-ynylhydrazine
CID 105221881
N-[1-(4-tert-butylphenyl)ethyl]-2-methylbut-3-yn-2-amine
CID 63997502
1-(3-chlorophenyl)prop-2-ynylhydrazine
CID 105194623
[(4-tert-butylphenyl)-(4-methoxyphenyl)methyl]hydrazine
CID 105190992
(1S)-1-(4-tert-butylphenyl)-2,2-difluoroethanamine;hydrochloride
CID 171246982
[1-(4-tert-butylphenyl)-2-(4-iodophenyl)ethyl]hydrazine
CID 105310370

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)prop-2-ynylhydrazine?
The IUPAC name of 1-(4-tert-butylphenyl)prop-2-ynylhydrazine (CID 105315640) is 1-(4-tert-butylphenyl)prop-2-ynylhydrazine.
What is the SMILES notation for 1-(4-tert-butylphenyl)prop-2-ynylhydrazine?
The canonical SMILES for 1-(4-tert-butylphenyl)prop-2-ynylhydrazine is C#CC(NN)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)prop-2-ynylhydrazine?
The InChIKey is IQWLEYSCAHJMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-5-12(15-14)10-6-8-11(9-7-10)13(2,3)4/h1,6-9,12,15H,14H2,2-4H3.
What are the key properties of 1-(4-tert-butylphenyl)prop-2-ynylhydrazine?
1-(4-tert-butylphenyl)prop-2-ynylhydrazine has a molecular weight of 202.30 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)prop-2-ynylhydrazine is sourced from PubChem (CID 105315640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).