1-(2-methoxyphenyl)hex-4-ynylhydrazine

C13H18N2O — CID 105191206

IUPAC1-(2-methoxyphenyl)hex-4-ynylhydrazine
SMILESCC#CCCC(NN)c1ccccc1OC
InChIInChI=1S/C13H18N2O/c1-3-4-5-9-12(15-14)11-8-6-7-10-13(11)16-2/h6-8,10,12,15H,5,9,14H2,1-2H3
InChIKeyCAWWIHFTCLPGII-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.00
Rot. Bonds5

About 1-(2-methoxyphenyl)hex-4-ynylhydrazine

1-(2-methoxyphenyl)hex-4-ynylhydrazine (PubChem CID 105191206) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)hex-4-ynylhydrazine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)hex-4-ynylhydrazine
PubChem CID105191206
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-(2-methoxyphenyl)hex-4-ynylhydrazine
SMILESCC#CCCC(NN)c1ccccc1OC
InChIInChI=1S/C13H18N2O/c1-3-4-5-9-12(15-14)11-8-6-7-10-13(11)16-2/h6-8,10,12,15H,5,9,14H2,1-2H3
InChIKeyCAWWIHFTCLPGII-UHFFFAOYSA-N
XLogP2.00
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1-(2-methoxyphenyl)hex-4-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-(2-ethoxyphenyl)hex-4-ynylhydrazine
CID 105260784
1-(2-methoxyphenyl)-N-propylhex-4-yn-1-amine
CID 113455163
1-(2-methoxyphenyl)hex-5-ynylhydrazine
CID 105191170
1-(2-amino-3-methoxyphenyl)hex-4-yn-1-ol
CID 107469362
N,N-diethyl-3-hydrazinyl-3-(2-methoxyphenyl)propan-1-amine
CID 105243936
1-(2-methyl-3-pyridinyl)hex-4-ynylhydrazine
CID 105334994
1-(3-bromo-2-methylphenyl)hex-4-ynylhydrazine
CID 105335067
1-[2-(difluoromethoxy)phenyl]pent-3-ynylhydrazine
CID 105290570
1-(2,4-difluorophenyl)hex-4-ynylhydrazine
CID 105216646
1-quinolin-4-ylhex-4-ynylhydrazine
CID 105334903
1-quinolin-8-ylhex-4-ynylhydrazine
CID 105334997
[2-cyclopentyl-1-(2-methoxyphenyl)ethyl]hydrazine
CID 105191072

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)hex-4-ynylhydrazine?
The IUPAC name of 1-(2-methoxyphenyl)hex-4-ynylhydrazine (CID 105191206) is 1-(2-methoxyphenyl)hex-4-ynylhydrazine.
What is the SMILES notation for 1-(2-methoxyphenyl)hex-4-ynylhydrazine?
The canonical SMILES for 1-(2-methoxyphenyl)hex-4-ynylhydrazine is CC#CCCC(NN)c1ccccc1OC.
What is the InChIKey of 1-(2-methoxyphenyl)hex-4-ynylhydrazine?
The InChIKey is CAWWIHFTCLPGII-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/h6-8,10,12,15H,5,9,14H2,1-2H3.
What are the key properties of 1-(2-methoxyphenyl)hex-4-ynylhydrazine?
1-(2-methoxyphenyl)hex-4-ynylhydrazine has a molecular weight of 218.30 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)hex-4-ynylhydrazine is sourced from PubChem (CID 105191206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).