1-(2-methoxyphenyl)hex-5-ynylhydrazine

C13H18N2O — CID 105191170

IUPAC1-(2-methoxyphenyl)hex-5-ynylhydrazine
SMILESC#CCCCC(NN)c1ccccc1OC
InChIInChI=1S/C13H18N2O/c1-3-4-5-9-12(15-14)11-8-6-7-10-13(11)16-2/h1,6-8,10,12,15H,4-5,9,14H2,2H3
InChIKeyAQXSKXDEQCHPIQ-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.00
Rot. Bonds6

About 1-(2-methoxyphenyl)hex-5-ynylhydrazine

1-(2-methoxyphenyl)hex-5-ynylhydrazine (PubChem CID 105191170) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)hex-5-ynylhydrazine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)hex-5-ynylhydrazine
PubChem CID105191170
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-(2-methoxyphenyl)hex-5-ynylhydrazine
SMILESC#CCCCC(NN)c1ccccc1OC
InChIInChI=1S/C13H18N2O/c1-3-4-5-9-12(15-14)11-8-6-7-10-13(11)16-2/h1,6-8,10,12,15H,4-5,9,14H2,2H3
InChIKeyAQXSKXDEQCHPIQ-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(2-methoxyphenyl)hex-4-ynylhydrazine
CID 105191206
1-(2,3-dimethoxyphenyl)hex-5-yn-1-ol
CID 113374232
N,N-diethyl-3-hydrazinyl-3-(2-methoxyphenyl)propan-1-amine
CID 105243936
1-(2-methoxyphenyl)-N-prop-2-ynylethane-1,2-diamine
CID 65380773
1-(2,6-dimethoxyphenyl)-N-propylhex-5-yn-1-amine
CID 105034069
[4-methoxy-1-(2-propan-2-yloxyphenyl)butyl]hydrazine
CID 105225070
1-(2,6-dichlorophenyl)hex-5-ynylhydrazine
CID 105333419
1-(2,5-dibromophenyl)hex-5-ynylhydrazine
CID 105333449
1-(2-ethoxyphenyl)hex-4-ynylhydrazine
CID 105260784
1-(2,4-dimethoxyphenyl)-N-propylhex-5-yn-1-amine
CID 105034068
[1-(2-chlorophenyl)-4-methoxybutyl]hydrazine
CID 105211131
[2-cyclopentyl-1-(2-methoxyphenyl)ethyl]hydrazine
CID 105191072

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)hex-5-ynylhydrazine?
The IUPAC name of 1-(2-methoxyphenyl)hex-5-ynylhydrazine (CID 105191170) is 1-(2-methoxyphenyl)hex-5-ynylhydrazine.
What is the SMILES notation for 1-(2-methoxyphenyl)hex-5-ynylhydrazine?
The canonical SMILES for 1-(2-methoxyphenyl)hex-5-ynylhydrazine is C#CCCCC(NN)c1ccccc1OC.
What is the InChIKey of 1-(2-methoxyphenyl)hex-5-ynylhydrazine?
The InChIKey is AQXSKXDEQCHPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-3-4-5-9-12(15-14)11-8-6-7-10-13(11)16-2/h1,6-8,10,12,15H,4-5,9,14H2,2H3.
What are the key properties of 1-(2-methoxyphenyl)hex-5-ynylhydrazine?
1-(2-methoxyphenyl)hex-5-ynylhydrazine has a molecular weight of 218.30 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)hex-5-ynylhydrazine is sourced from PubChem (CID 105191170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).