1-(3,4-diethoxyphenyl)prop-2-ynylhydrazine

C13H18N2O2 — CID 105315456

IUPAC1-(3,4-diethoxyphenyl)prop-2-ynylhydrazine
SMILESC#CC(NN)c1ccc(OCC)c(OCC)c1
InChIInChI=1S/C13H18N2O2/c1-4-11(15-14)10-7-8-12(16-5-2)13(9-10)17-6-3/h1,7-9,11,15H,5-6,14H2,2-3H3
InChIKeySMMWPMSMXHLWPP-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.62
Rot. Bonds6

About 1-(3,4-diethoxyphenyl)prop-2-ynylhydrazine

1-(3,4-diethoxyphenyl)prop-2-ynylhydrazine (PubChem CID 105315456) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-(3,4-diethoxyphenyl)prop-2-ynylhydrazine.

Molecular Properties

Compound Name1-(3,4-diethoxyphenyl)prop-2-ynylhydrazine
PubChem CID105315456
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-(3,4-diethoxyphenyl)prop-2-ynylhydrazine
SMILESC#CC(NN)c1ccc(OCC)c(OCC)c1
InChIInChI=1S/C13H18N2O2/c1-4-11(15-14)10-7-8-12(16-5-2)13(9-10)17-6-3/h1,7-9,11,15H,5-6,14H2,2-3H3
InChIKeySMMWPMSMXHLWPP-UHFFFAOYSA-N
XLogP1.62
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(3,4-diethoxyphenyl)prop-2-ynylhydrazine 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-(3,4-diethoxyphenyl)-2,2-difluoroethyl]hydrazine
CID 105265233
1-(4-fluoro-3-methoxyphenyl)prop-2-ynylhydrazine
CID 105315530
[1-(3,4-diethoxyphenyl)-3-methylbutyl]hydrazine
CID 105199088
methyl 2-(3,4-diethoxyphenyl)propanoate
CID 55071930
[4-chloro-1-(3,4-diethoxyphenyl)butyl]hydrazine
CID 105235772
1-(3-propoxyphenyl)prop-2-ynylhydrazine
CID 105315638
(1S)-1-(3,4-diethoxyphenyl)propan-1-ol
CID 82758130
2-amino-1-(3,4-diethoxyphenyl)ethanol
CID 18627975
1-(3,4-diethoxyphenyl)hex-5-enylhydrazine
CID 105311210
[(3,4-diethoxyphenyl)-phenylmethyl]azanium
CID 4712217
1-(3,4-diethoxyphenyl)prop-2-en-1-amine
CID 105000806
1-quinoxalin-6-ylprop-2-ynylhydrazine
CID 105221881

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-diethoxyphenyl)prop-2-ynylhydrazine?
The IUPAC name of 1-(3,4-diethoxyphenyl)prop-2-ynylhydrazine (CID 105315456) is 1-(3,4-diethoxyphenyl)prop-2-ynylhydrazine.
What is the SMILES notation for 1-(3,4-diethoxyphenyl)prop-2-ynylhydrazine?
The canonical SMILES for 1-(3,4-diethoxyphenyl)prop-2-ynylhydrazine is C#CC(NN)c1ccc(OCC)c(OCC)c1.
What is the InChIKey of 1-(3,4-diethoxyphenyl)prop-2-ynylhydrazine?
The InChIKey is SMMWPMSMXHLWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-4-11(15-14)10-7-8-12(16-5-2)13(9-10)17-6-3/h1,7-9,11,15H,5-6,14H2,2-3H3.
What are the key properties of 1-(3,4-diethoxyphenyl)prop-2-ynylhydrazine?
1-(3,4-diethoxyphenyl)prop-2-ynylhydrazine has a molecular weight of 234.30 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-diethoxyphenyl)prop-2-ynylhydrazine is sourced from PubChem (CID 105315456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).