[1-(2-ethoxyphenyl)-5,5-dimethylhex-3-ynyl]hydrazine

C16H24N2O — CID 114190770

IUPAC[1-(2-ethoxyphenyl)-5,5-dimethylhex-3-ynyl]hydrazine
SMILESCCOc1ccccc1C(CC#CC(C)(C)C)NN
InChIInChI=1S/C16H24N2O/c1-5-19-15-11-7-6-9-13(15)14(18-17)10-8-12-16(2,3)4/h6-7,9,11,14,18H,5,10,17H2,1-4H3
InChIKeyAGHYLEFVVWIBHV-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.03
Rot. Bonds5

About [1-(2-ethoxyphenyl)-5,5-dimethylhex-3-ynyl]hydrazine

[1-(2-ethoxyphenyl)-5,5-dimethylhex-3-ynyl]hydrazine (PubChem CID 114190770) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is [1-(2-ethoxyphenyl)-5,5-dimethylhex-3-ynyl]hydrazine.

Molecular Properties

Compound Name[1-(2-ethoxyphenyl)-5,5-dimethylhex-3-ynyl]hydrazine
PubChem CID114190770
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name[1-(2-ethoxyphenyl)-5,5-dimethylhex-3-ynyl]hydrazine
SMILESCCOc1ccccc1C(CC#CC(C)(C)C)NN
InChIInChI=1S/C16H24N2O/c1-5-19-15-11-7-6-9-13(15)14(18-17)10-8-12-16(2,3)4/h6-7,9,11,14,18H,5,10,17H2,1-4H3
InChIKeyAGHYLEFVVWIBHV-UHFFFAOYSA-N
XLogP3.03
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

Analyze [1-(2-ethoxyphenyl)-5,5-dimethylhex-3-ynyl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(2-ethoxyphenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]hydrazine
CID 105304469
1-(2-ethoxyphenyl)hex-4-ynylhydrazine
CID 105260784
[3-cyclopropyl-1-(2-ethoxyphenyl)propyl]hydrazine
CID 105260782
[3-cyclohexyl-1-(2-ethoxyphenyl)propyl]hydrazine
CID 105304395
[1-(2-ethoxyphenyl)-2-(4-fluorophenyl)ethyl]hydrazine
CID 105198197
[2-(2,6-dimethylphenyl)-1-(2-ethoxyphenyl)ethyl]hydrazine
CID 105260772
[1-(2-ethoxyphenyl)-4-methoxypentyl]hydrazine
CID 105304415
1-[2-(difluoromethoxy)phenyl]pent-3-ynylhydrazine
CID 105290570
[1-(2-ethoxyphenyl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 105260833
1-(2-ethoxyphenyl)-N,N-diethyl-1-hydrazinyl-2-methylbutan-2-amine
CID 105240781
(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171221746
[3,5,5-trimethyl-1-(2-propoxyphenyl)hexyl]hydrazine
CID 105334357

Frequently Asked Questions

What is the IUPAC name of [1-(2-ethoxyphenyl)-5,5-dimethylhex-3-ynyl]hydrazine?
The IUPAC name of [1-(2-ethoxyphenyl)-5,5-dimethylhex-3-ynyl]hydrazine (CID 114190770) is [1-(2-ethoxyphenyl)-5,5-dimethylhex-3-ynyl]hydrazine.
What is the SMILES notation for [1-(2-ethoxyphenyl)-5,5-dimethylhex-3-ynyl]hydrazine?
The canonical SMILES for [1-(2-ethoxyphenyl)-5,5-dimethylhex-3-ynyl]hydrazine is CCOc1ccccc1C(CC#CC(C)(C)C)NN.
What is the InChIKey of [1-(2-ethoxyphenyl)-5,5-dimethylhex-3-ynyl]hydrazine?
The InChIKey is AGHYLEFVVWIBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-5-19-15-11-7-6-9-13(15)14(18-17)10-8-12-16(2,3)4/h6-7,9,11,14,18H,5,10,17H2,1-4H3.
What are the key properties of [1-(2-ethoxyphenyl)-5,5-dimethylhex-3-ynyl]hydrazine?
[1-(2-ethoxyphenyl)-5,5-dimethylhex-3-ynyl]hydrazine has a molecular weight of 260.38 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethoxyphenyl)-5,5-dimethylhex-3-ynyl]hydrazine is sourced from PubChem (CID 114190770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).