(3-butoxy-4-methoxyphenyl)methylidenehydrazine

C12H18N2O2 — CID 168529239

IUPAC(3-butoxy-4-methoxyphenyl)methylidenehydrazine
SMILESCCCCOc1cc(C=NN)ccc1OC
InChIInChI=1S/C12H18N2O2/c1-3-4-7-16-12-8-10(9-14-13)5-6-11(12)15-2/h5-6,8-9H,3-4,7,13H2,1-2H3
InChIKeyTUYRVZKUFIWKHP-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.17
Rot. Bonds6

About (3-butoxy-4-methoxyphenyl)methylidenehydrazine

(3-butoxy-4-methoxyphenyl)methylidenehydrazine (PubChem CID 168529239) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is (3-butoxy-4-methoxyphenyl)methylidenehydrazine.

Molecular Properties

Compound Name(3-butoxy-4-methoxyphenyl)methylidenehydrazine
PubChem CID168529239
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name(3-butoxy-4-methoxyphenyl)methylidenehydrazine
SMILESCCCCOc1cc(C=NN)ccc1OC
InChIInChI=1S/C12H18N2O2/c1-3-4-7-16-12-8-10(9-14-13)5-6-11(12)15-2/h5-6,8-9H,3-4,7,13H2,1-2H3
InChIKeyTUYRVZKUFIWKHP-UHFFFAOYSA-N
XLogP2.17
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (3-butoxy-4-methoxyphenyl)methylidenehydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-butoxy-4-methoxyphenyl)methylidenehydrazine?
The IUPAC name of (3-butoxy-4-methoxyphenyl)methylidenehydrazine (CID 168529239) is (3-butoxy-4-methoxyphenyl)methylidenehydrazine.
What is the SMILES notation for (3-butoxy-4-methoxyphenyl)methylidenehydrazine?
The canonical SMILES for (3-butoxy-4-methoxyphenyl)methylidenehydrazine is CCCCOc1cc(C=NN)ccc1OC.
What is the InChIKey of (3-butoxy-4-methoxyphenyl)methylidenehydrazine?
The InChIKey is TUYRVZKUFIWKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-3-4-7-16-12-8-10(9-14-13)5-6-11(12)15-2/h5-6,8-9H,3-4,7,13H2,1-2H3.
What are the key properties of (3-butoxy-4-methoxyphenyl)methylidenehydrazine?
(3-butoxy-4-methoxyphenyl)methylidenehydrazine has a molecular weight of 222.29 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-butoxy-4-methoxyphenyl)methylidenehydrazine is sourced from PubChem (CID 168529239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).