1-(4-tert-butyl-2,6-dimethylphenyl)but-3-en-2-ylhydrazine

C16H26N2 — CID 105197829

IUPAC1-(4-tert-butyl-2,6-dimethylphenyl)but-3-en-2-ylhydrazine
SMILESC=CC(Cc1c(C)cc(C(C)(C)C)cc1C)NN
InChIInChI=1S/C16H26N2/c1-7-14(18-17)10-15-11(2)8-13(9-12(15)3)16(4,5)6/h7-9,14,18H,1,10,17H2,2-6H3
InChIKeyRTRHGNADTZLPHI-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.16
Rot. Bonds4

About 1-(4-tert-butyl-2,6-dimethylphenyl)but-3-en-2-ylhydrazine

1-(4-tert-butyl-2,6-dimethylphenyl)but-3-en-2-ylhydrazine (PubChem CID 105197829) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-(4-tert-butyl-2,6-dimethylphenyl)but-3-en-2-ylhydrazine.

Molecular Properties

Compound Name1-(4-tert-butyl-2,6-dimethylphenyl)but-3-en-2-ylhydrazine
PubChem CID105197829
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-(4-tert-butyl-2,6-dimethylphenyl)but-3-en-2-ylhydrazine
SMILESC=CC(Cc1c(C)cc(C(C)(C)C)cc1C)NN
InChIInChI=1S/C16H26N2/c1-7-14(18-17)10-15-11(2)8-13(9-12(15)3)16(4,5)6/h7-9,14,18H,1,10,17H2,2-6H3
InChIKeyRTRHGNADTZLPHI-UHFFFAOYSA-N
XLogP3.16
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[1-(4-tert-butyl-2,6-dimethylphenyl)-3,3-dimethylbutan-2-yl]hydrazine
CID 105197851
[1-(4-tert-butyl-2,6-dimethylphenyl)-4-methylpent-4-en-2-yl]hydrazine
CID 105197853
1-(4-tert-butyl-2,6-dimethylphenyl)-N-propylpent-4-en-2-amine
CID 63413264
1-(4-tert-butyl-2,6-dimethylphenyl)hex-4-yn-2-ylhydrazine
CID 105197832
1-(4-tert-butyl-2,6-dimethylphenyl)hex-5-yn-2-ylhydrazine
CID 105197839
1-(4-tert-butyl-2,6-dimethylphenyl)-3-methylbutan-2-amine
CID 60818626
2-amino-3-(4-tert-butyl-2,6-dimethylphenyl)propanehydrazide
CID 116848629
1-(4-tert-butyl-2,6-dimethylphenyl)-3-methylbut-3-en-2-amine
CID 79189836
4-(4-tert-butyl-2,6-dimethylphenyl)butanehydrazide
CID 116843609
4-(4-tert-butyl-2,6-dimethylphenyl)-3-methylbutan-1-amine
CID 116924866
1-(4-tert-butyl-2,6-dimethylphenyl)butan-2-ol
CID 60798417
1-(4-tert-butyl-2,6-dimethylphenyl)-3-cyclopentylpropan-2-ol
CID 63410441

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-2,6-dimethylphenyl)but-3-en-2-ylhydrazine?
The IUPAC name of 1-(4-tert-butyl-2,6-dimethylphenyl)but-3-en-2-ylhydrazine (CID 105197829) is 1-(4-tert-butyl-2,6-dimethylphenyl)but-3-en-2-ylhydrazine.
What is the SMILES notation for 1-(4-tert-butyl-2,6-dimethylphenyl)but-3-en-2-ylhydrazine?
The canonical SMILES for 1-(4-tert-butyl-2,6-dimethylphenyl)but-3-en-2-ylhydrazine is C=CC(Cc1c(C)cc(C(C)(C)C)cc1C)NN.
What is the InChIKey of 1-(4-tert-butyl-2,6-dimethylphenyl)but-3-en-2-ylhydrazine?
The InChIKey is RTRHGNADTZLPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-7-14(18-17)10-15-11(2)8-13(9-12(15)3)16(4,5)6/h7-9,14,18H,1,10,17H2,2-6H3.
What are the key properties of 1-(4-tert-butyl-2,6-dimethylphenyl)but-3-en-2-ylhydrazine?
1-(4-tert-butyl-2,6-dimethylphenyl)but-3-en-2-ylhydrazine has a molecular weight of 246.40 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-2,6-dimethylphenyl)but-3-en-2-ylhydrazine is sourced from PubChem (CID 105197829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).