4-[(dimethylhydrazinylidene)methyl]aniline

C9H13N3 — CID 123147068

IUPAC4-[(dimethylhydrazinylidene)methyl]aniline
SMILESCN(C)N=Cc1ccc(N)cc1
InChIInChI=1S/C9H13N3/c1-12(2)11-7-8-3-5-9(10)6-4-8/h3-7H,10H2,1-2H3
InChIKeyVXTGGCNKIDKFPI-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.16
Rot. Bonds2

About 4-[(dimethylhydrazinylidene)methyl]aniline

4-[(dimethylhydrazinylidene)methyl]aniline (PubChem CID 123147068) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 4-[(dimethylhydrazinylidene)methyl]aniline.

Molecular Properties

Compound Name4-[(dimethylhydrazinylidene)methyl]aniline
PubChem CID123147068
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name4-[(dimethylhydrazinylidene)methyl]aniline
SMILESCN(C)N=Cc1ccc(N)cc1
InChIInChI=1S/C9H13N3/c1-12(2)11-7-8-3-5-9(10)6-4-8/h3-7H,10H2,1-2H3
InChIKeyVXTGGCNKIDKFPI-UHFFFAOYSA-N
XLogP1.16
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylhydrazinylidene)methyl]aniline?
The IUPAC name of 4-[(dimethylhydrazinylidene)methyl]aniline (CID 123147068) is 4-[(dimethylhydrazinylidene)methyl]aniline.
What is the SMILES notation for 4-[(dimethylhydrazinylidene)methyl]aniline?
The canonical SMILES for 4-[(dimethylhydrazinylidene)methyl]aniline is CN(C)N=Cc1ccc(N)cc1.
What is the InChIKey of 4-[(dimethylhydrazinylidene)methyl]aniline?
The InChIKey is VXTGGCNKIDKFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-12(2)11-7-8-3-5-9(10)6-4-8/h3-7H,10H2,1-2H3.
What are the key properties of 4-[(dimethylhydrazinylidene)methyl]aniline?
4-[(dimethylhydrazinylidene)methyl]aniline has a molecular weight of 163.22 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylhydrazinylidene)methyl]aniline is sourced from PubChem (CID 123147068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).