[1-(4-tert-butyl-2,6-dimethylphenyl)-4-methylpent-4-en-2-yl]hydrazine

C18H30N2 — CID 105197853

IUPAC[1-(4-tert-butyl-2,6-dimethylphenyl)-4-methylpent-4-en-2-yl]hydrazine
SMILESC=C(C)CC(Cc1c(C)cc(C(C)(C)C)cc1C)NN
InChIInChI=1S/C18H30N2/c1-12(2)8-16(20-19)11-17-13(3)9-15(10-14(17)4)18(5,6)7/h9-10,16,20H,1,8,11,19H2,2-7H3
InChIKeyPUMHUJQETXRBAR-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.94
Rot. Bonds5

About [1-(4-tert-butyl-2,6-dimethylphenyl)-4-methylpent-4-en-2-yl]hydrazine

[1-(4-tert-butyl-2,6-dimethylphenyl)-4-methylpent-4-en-2-yl]hydrazine (PubChem CID 105197853) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is [1-(4-tert-butyl-2,6-dimethylphenyl)-4-methylpent-4-en-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(4-tert-butyl-2,6-dimethylphenyl)-4-methylpent-4-en-2-yl]hydrazine
PubChem CID105197853
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name[1-(4-tert-butyl-2,6-dimethylphenyl)-4-methylpent-4-en-2-yl]hydrazine
SMILESC=C(C)CC(Cc1c(C)cc(C(C)(C)C)cc1C)NN
InChIInChI=1S/C18H30N2/c1-12(2)8-16(20-19)11-17-13(3)9-15(10-14(17)4)18(5,6)7/h9-10,16,20H,1,8,11,19H2,2-7H3
InChIKeyPUMHUJQETXRBAR-UHFFFAOYSA-N
XLogP3.94
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.94
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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Frequently Asked Questions

What is the IUPAC name of [1-(4-tert-butyl-2,6-dimethylphenyl)-4-methylpent-4-en-2-yl]hydrazine?
The IUPAC name of [1-(4-tert-butyl-2,6-dimethylphenyl)-4-methylpent-4-en-2-yl]hydrazine (CID 105197853) is [1-(4-tert-butyl-2,6-dimethylphenyl)-4-methylpent-4-en-2-yl]hydrazine.
What is the SMILES notation for [1-(4-tert-butyl-2,6-dimethylphenyl)-4-methylpent-4-en-2-yl]hydrazine?
The canonical SMILES for [1-(4-tert-butyl-2,6-dimethylphenyl)-4-methylpent-4-en-2-yl]hydrazine is C=C(C)CC(Cc1c(C)cc(C(C)(C)C)cc1C)NN.
What is the InChIKey of [1-(4-tert-butyl-2,6-dimethylphenyl)-4-methylpent-4-en-2-yl]hydrazine?
The InChIKey is PUMHUJQETXRBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-12(2)8-16(20-19)11-17-13(3)9-15(10-14(17)4)18(5,6)7/h9-10,16,20H,1,8,11,19H2,2-7H3.
What are the key properties of [1-(4-tert-butyl-2,6-dimethylphenyl)-4-methylpent-4-en-2-yl]hydrazine?
[1-(4-tert-butyl-2,6-dimethylphenyl)-4-methylpent-4-en-2-yl]hydrazine has a molecular weight of 274.45 g/mol, XLogP of 3.94, 5 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)-4-methylpent-4-en-2-yl]hydrazine is sourced from PubChem (CID 105197853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).