2-(3-tert-butyl-4-methoxyphenyl)-2-hydrazinylpropanenitrile

C14H21N3O — CID 82130982

IUPAC2-(3-tert-butyl-4-methoxyphenyl)-2-hydrazinylpropanenitrile
SMILESCOc1ccc(C(C)(C#N)NN)cc1C(C)(C)C
InChIInChI=1S/C14H21N3O/c1-13(2,3)11-8-10(6-7-12(11)18-5)14(4,9-15)17-16/h6-8,17H,16H2,1-5H3
InChIKeyMCLMKYIJOOPYRH-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.19
Rot. Bonds3

About 2-(3-tert-butyl-4-methoxyphenyl)-2-hydrazinylpropanenitrile

2-(3-tert-butyl-4-methoxyphenyl)-2-hydrazinylpropanenitrile (PubChem CID 82130982) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(3-tert-butyl-4-methoxyphenyl)-2-hydrazinylpropanenitrile.

Molecular Properties

Compound Name2-(3-tert-butyl-4-methoxyphenyl)-2-hydrazinylpropanenitrile
PubChem CID82130982
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-(3-tert-butyl-4-methoxyphenyl)-2-hydrazinylpropanenitrile
SMILESCOc1ccc(C(C)(C#N)NN)cc1C(C)(C)C
InChIInChI=1S/C14H21N3O/c1-13(2,3)11-8-10(6-7-12(11)18-5)14(4,9-15)17-16/h6-8,17H,16H2,1-5H3
InChIKeyMCLMKYIJOOPYRH-UHFFFAOYSA-N
XLogP2.19
TPSA71.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.19
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'}

Analyze 2-(3-tert-butyl-4-methoxyphenyl)-2-hydrazinylpropanenitrile 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

2-(3-tert-butyl-4-methoxyphenyl)-2-hydrazinylpropanoic acid
CID 82133860
3-amino-3-(3-tert-butyl-4-methoxyphenyl)-2,2-dimethylpropanenitrile
CID 116940362
2-(3-tert-butyl-4-methoxyphenyl)-2-methylpropan-1-ol
CID 82129591
3-(3-tert-butyl-4-methoxyphenyl)-2,2-dimethyl-3-oxopropanenitrile
CID 116919316
1-(3-tert-butyl-4-methoxyphenyl)-N'-methylmethanediamine
CID 116939282
2-[amino-(3-tert-butyl-4-methoxyphenyl)methyl]butanenitrile
CID 116946154
1-[(3-tert-butyl-4-methoxyanilino)methyl]cyclopropane-1-carbonitrile
CID 115241931
amino-(3-tert-butyl-4-methoxyphenyl)methanol
CID 116939595
1-amino-2-(5-tert-butyl-2-methoxyphenyl)propan-2-ol
CID 82049197
2-(3-tert-butyl-4-methoxyphenyl)ethylhydrazine
CID 94684195
3-(3-tert-butyl-4-methoxyphenyl)propanenitrile
CID 82471944
3-tert-butyl-4-methoxybenzaldehyde
CID 3774604

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-4-methoxyphenyl)-2-hydrazinylpropanenitrile?
The IUPAC name of 2-(3-tert-butyl-4-methoxyphenyl)-2-hydrazinylpropanenitrile (CID 82130982) is 2-(3-tert-butyl-4-methoxyphenyl)-2-hydrazinylpropanenitrile.
What is the SMILES notation for 2-(3-tert-butyl-4-methoxyphenyl)-2-hydrazinylpropanenitrile?
The canonical SMILES for 2-(3-tert-butyl-4-methoxyphenyl)-2-hydrazinylpropanenitrile is COc1ccc(C(C)(C#N)NN)cc1C(C)(C)C.
What is the InChIKey of 2-(3-tert-butyl-4-methoxyphenyl)-2-hydrazinylpropanenitrile?
The InChIKey is MCLMKYIJOOPYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-13(2,3)11-8-10(6-7-12(11)18-5)14(4,9-15)17-16/h6-8,17H,16H2,1-5H3.
What are the key properties of 2-(3-tert-butyl-4-methoxyphenyl)-2-hydrazinylpropanenitrile?
2-(3-tert-butyl-4-methoxyphenyl)-2-hydrazinylpropanenitrile has a molecular weight of 247.34 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-4-methoxyphenyl)-2-hydrazinylpropanenitrile is sourced from PubChem (CID 82130982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).