1-(3-methylphenoxy)hex-5-yn-3-ylhydrazine

C13H18N2O — CID 105281608

IUPAC1-(3-methylphenoxy)hex-5-yn-3-ylhydrazine
SMILESC#CCC(CCOc1cccc(C)c1)NN
InChIInChI=1S/C13H18N2O/c1-3-5-12(15-14)8-9-16-13-7-4-6-11(2)10-13/h1,4,6-7,10,12,15H,5,8-9,14H2,2H3
InChIKeyGUJMVBFWFZYSIN-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.62
Rot. Bonds6

About 1-(3-methylphenoxy)hex-5-yn-3-ylhydrazine

1-(3-methylphenoxy)hex-5-yn-3-ylhydrazine (PubChem CID 105281608) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(3-methylphenoxy)hex-5-yn-3-ylhydrazine.

Molecular Properties

Compound Name1-(3-methylphenoxy)hex-5-yn-3-ylhydrazine
PubChem CID105281608
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-(3-methylphenoxy)hex-5-yn-3-ylhydrazine
SMILESC#CCC(CCOc1cccc(C)c1)NN
InChIInChI=1S/C13H18N2O/c1-3-5-12(15-14)8-9-16-13-7-4-6-11(2)10-13/h1,4,6-7,10,12,15H,5,8-9,14H2,2H3
InChIKeyGUJMVBFWFZYSIN-UHFFFAOYSA-N
XLogP1.62
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.62
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'}

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Related Compounds

1-phenoxyhex-5-yn-3-ylhydrazine
CID 105191454
[6-methyl-1-(3-methylphenoxy)heptan-3-yl]hydrazine
CID 105294303
[4-(3-methylphenoxy)-1-phenylbutan-2-yl]hydrazine
CID 105283208
[5-methyl-1-(3-methylphenoxy)heptan-3-yl]hydrazine
CID 105298656
[1-(3-methylphenoxy)-5-thiophen-3-ylpentan-3-yl]hydrazine
CID 105306880
[3-(3-methylphenoxy)-1-phenylpropyl]hydrazine
CID 105283017
1-methoxy-N-methyl-4-(3-methylphenoxy)butan-2-amine
CID 105165685
[1-(3-chloro-4-pyridinyl)-4-(3-methylphenoxy)butan-2-yl]hydrazine
CID 105314840
[1-(1-ethylimidazol-2-yl)-4-(3-methylphenoxy)butan-2-yl]hydrazine
CID 105321937
[1-(cyclohexen-1-yl)-3-(3-methylphenoxy)propyl]hydrazine
CID 106650430
1-phenoxyhept-5-yn-3-ylhydrazine
CID 105191389
1-(3-methylphenoxy)-N-propyloct-6-yn-3-amine
CID 105181630

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenoxy)hex-5-yn-3-ylhydrazine?
The IUPAC name of 1-(3-methylphenoxy)hex-5-yn-3-ylhydrazine (CID 105281608) is 1-(3-methylphenoxy)hex-5-yn-3-ylhydrazine.
What is the SMILES notation for 1-(3-methylphenoxy)hex-5-yn-3-ylhydrazine?
The canonical SMILES for 1-(3-methylphenoxy)hex-5-yn-3-ylhydrazine is C#CCC(CCOc1cccc(C)c1)NN.
What is the InChIKey of 1-(3-methylphenoxy)hex-5-yn-3-ylhydrazine?
The InChIKey is GUJMVBFWFZYSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-3-5-12(15-14)8-9-16-13-7-4-6-11(2)10-13/h1,4,6-7,10,12,15H,5,8-9,14H2,2H3.
What are the key properties of 1-(3-methylphenoxy)hex-5-yn-3-ylhydrazine?
1-(3-methylphenoxy)hex-5-yn-3-ylhydrazine has a molecular weight of 218.30 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenoxy)hex-5-yn-3-ylhydrazine is sourced from PubChem (CID 105281608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).