1-(4-tert-butyl-2,6-dimethylphenyl)hex-4-yn-2-ylhydrazine

C18H28N2 — CID 105197832

IUPAC1-(4-tert-butyl-2,6-dimethylphenyl)hex-4-yn-2-ylhydrazine
SMILESCC#CCC(Cc1c(C)cc(C(C)(C)C)cc1C)NN
InChIInChI=1S/C18H28N2/c1-7-8-9-16(20-19)12-17-13(2)10-15(11-14(17)3)18(4,5)6/h10-11,16,20H,9,12,19H2,1-6H3
InChIKeySERQPLJYFTXPRN-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.39
Rot. Bonds4

About 1-(4-tert-butyl-2,6-dimethylphenyl)hex-4-yn-2-ylhydrazine

1-(4-tert-butyl-2,6-dimethylphenyl)hex-4-yn-2-ylhydrazine (PubChem CID 105197832) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 1-(4-tert-butyl-2,6-dimethylphenyl)hex-4-yn-2-ylhydrazine.

Molecular Properties

Compound Name1-(4-tert-butyl-2,6-dimethylphenyl)hex-4-yn-2-ylhydrazine
PubChem CID105197832
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name1-(4-tert-butyl-2,6-dimethylphenyl)hex-4-yn-2-ylhydrazine
SMILESCC#CCC(Cc1c(C)cc(C(C)(C)C)cc1C)NN
InChIInChI=1S/C18H28N2/c1-7-8-9-16(20-19)12-17-13(2)10-15(11-14(17)3)18(4,5)6/h10-11,16,20H,9,12,19H2,1-6H3
InChIKeySERQPLJYFTXPRN-UHFFFAOYSA-N
XLogP3.39
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.39
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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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-2,6-dimethylphenyl)hex-4-yn-2-ylhydrazine?
The IUPAC name of 1-(4-tert-butyl-2,6-dimethylphenyl)hex-4-yn-2-ylhydrazine (CID 105197832) is 1-(4-tert-butyl-2,6-dimethylphenyl)hex-4-yn-2-ylhydrazine.
What is the SMILES notation for 1-(4-tert-butyl-2,6-dimethylphenyl)hex-4-yn-2-ylhydrazine?
The canonical SMILES for 1-(4-tert-butyl-2,6-dimethylphenyl)hex-4-yn-2-ylhydrazine is CC#CCC(Cc1c(C)cc(C(C)(C)C)cc1C)NN.
What is the InChIKey of 1-(4-tert-butyl-2,6-dimethylphenyl)hex-4-yn-2-ylhydrazine?
The InChIKey is SERQPLJYFTXPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-7-8-9-16(20-19)12-17-13(2)10-15(11-14(17)3)18(4,5)6/h10-11,16,20H,9,12,19H2,1-6H3.
What are the key properties of 1-(4-tert-butyl-2,6-dimethylphenyl)hex-4-yn-2-ylhydrazine?
1-(4-tert-butyl-2,6-dimethylphenyl)hex-4-yn-2-ylhydrazine has a molecular weight of 272.44 g/mol, XLogP of 3.39, 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)hex-4-yn-2-ylhydrazine is sourced from PubChem (CID 105197832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).