1-(3-propoxyphenyl)prop-2-ynylhydrazine

C12H16N2O — CID 105315638

IUPAC1-(3-propoxyphenyl)prop-2-ynylhydrazine
SMILESC#CC(NN)c1cccc(OCCC)c1
InChIInChI=1S/C12H16N2O/c1-3-8-15-11-7-5-6-10(9-11)12(4-2)14-13/h2,5-7,9,12,14H,3,8,13H2,1H3
InChIKeyUXTHSEVNNXELSO-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.61
Rot. Bonds5

About 1-(3-propoxyphenyl)prop-2-ynylhydrazine

1-(3-propoxyphenyl)prop-2-ynylhydrazine (PubChem CID 105315638) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-(3-propoxyphenyl)prop-2-ynylhydrazine.

Molecular Properties

Compound Name1-(3-propoxyphenyl)prop-2-ynylhydrazine
PubChem CID105315638
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name1-(3-propoxyphenyl)prop-2-ynylhydrazine
SMILESC#CC(NN)c1cccc(OCCC)c1
InChIInChI=1S/C12H16N2O/c1-3-8-15-11-7-5-6-10(9-11)12(4-2)14-13/h2,5-7,9,12,14H,3,8,13H2,1H3
InChIKeyUXTHSEVNNXELSO-UHFFFAOYSA-N
XLogP1.61
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.61
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

[3-methyl-1-(3-propoxyphenyl)butyl]hydrazine
CID 105282817
1-(3-propoxyphenyl)-N-prop-2-ynylethane-1,2-diamine
CID 65380972
[2-propan-2-yloxy-1-(3-propoxyphenyl)ethyl]hydrazine
CID 105323803
[(2-chlorophenyl)-(3-propoxyphenyl)methyl]hydrazine
CID 105287434
[2-(4-iodophenyl)-1-(3-propoxyphenyl)ethyl]hydrazine
CID 105310368
[(2-methylphenyl)-(3-propoxyphenyl)methyl]hydrazine
CID 105286114
(1R)-1-(3-propoxyphenyl)ethane-1,2-diamine
CID 66516554
N-methyl-1-(3-propoxyphenyl)ethanamine
CID 43279892
N-methyl-1-(3-propoxyphenyl)propan-1-amine
CID 114979549
(3-propoxyphenyl)-(3-propylphenyl)methanamine
CID 105050359
2-(cyclopropylamino)-2-(3-propoxyphenyl)acetonitrile
CID 55079116
[(3-methoxyphenyl)-(4-propoxyphenyl)methyl]hydrazine
CID 105191804

Frequently Asked Questions

What is the IUPAC name of 1-(3-propoxyphenyl)prop-2-ynylhydrazine?
The IUPAC name of 1-(3-propoxyphenyl)prop-2-ynylhydrazine (CID 105315638) is 1-(3-propoxyphenyl)prop-2-ynylhydrazine.
What is the SMILES notation for 1-(3-propoxyphenyl)prop-2-ynylhydrazine?
The canonical SMILES for 1-(3-propoxyphenyl)prop-2-ynylhydrazine is C#CC(NN)c1cccc(OCCC)c1.
What is the InChIKey of 1-(3-propoxyphenyl)prop-2-ynylhydrazine?
The InChIKey is UXTHSEVNNXELSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-3-8-15-11-7-5-6-10(9-11)12(4-2)14-13/h2,5-7,9,12,14H,3,8,13H2,1H3.
What are the key properties of 1-(3-propoxyphenyl)prop-2-ynylhydrazine?
1-(3-propoxyphenyl)prop-2-ynylhydrazine has a molecular weight of 204.27 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propoxyphenyl)prop-2-ynylhydrazine is sourced from PubChem (CID 105315638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).