2-[(E)-(dimethylhydrazinylidene)methyl]-4-N-methylbenzene-1,4-diamine

C10H16N4 — CID 130443214

IUPAC2-[(E)-(dimethylhydrazinylidene)methyl]-4-N-methylbenzene-1,4-diamine
SMILESCNc1ccc(N)c(/C=N/N(C)C)c1
InChIInChI=1S/C10H16N4/c1-12-9-4-5-10(11)8(6-9)7-13-14(2)3/h4-7,12H,11H2,1-3H3/b13-7+
InChIKeyFDANMCCZNXAYTL-NTUHNPAUSA-N
MW192.27 g/mol
LogP1.21
Rot. Bonds3

About 2-[(E)-(dimethylhydrazinylidene)methyl]-4-N-methylbenzene-1,4-diamine

2-[(E)-(dimethylhydrazinylidene)methyl]-4-N-methylbenzene-1,4-diamine (PubChem CID 130443214) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 2-[(E)-(dimethylhydrazinylidene)methyl]-4-N-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name2-[(E)-(dimethylhydrazinylidene)methyl]-4-N-methylbenzene-1,4-diamine
PubChem CID130443214
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name2-[(E)-(dimethylhydrazinylidene)methyl]-4-N-methylbenzene-1,4-diamine
SMILESCNc1ccc(N)c(/C=N/N(C)C)c1
InChIInChI=1S/C10H16N4/c1-12-9-4-5-10(11)8(6-9)7-13-14(2)3/h4-7,12H,11H2,1-3H3/b13-7+
InChIKeyFDANMCCZNXAYTL-NTUHNPAUSA-N
XLogP1.21
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-[(E)-(dimethylhydrazinylidene)methyl]-4-N-methylbenzene-1,4-diamine?
The IUPAC name of 2-[(E)-(dimethylhydrazinylidene)methyl]-4-N-methylbenzene-1,4-diamine (CID 130443214) is 2-[(E)-(dimethylhydrazinylidene)methyl]-4-N-methylbenzene-1,4-diamine.
What is the SMILES notation for 2-[(E)-(dimethylhydrazinylidene)methyl]-4-N-methylbenzene-1,4-diamine?
The canonical SMILES for 2-[(E)-(dimethylhydrazinylidene)methyl]-4-N-methylbenzene-1,4-diamine is CNc1ccc(N)c(/C=N/N(C)C)c1.
What is the InChIKey of 2-[(E)-(dimethylhydrazinylidene)methyl]-4-N-methylbenzene-1,4-diamine?
The InChIKey is FDANMCCZNXAYTL-NTUHNPAUSA-N. The full InChI is InChI=1S/C10H16N4/c1-12-9-4-5-10(11)8(6-9)7-13-14(2)3/h4-7,12H,11H2,1-3H3/b13-7+.
What are the key properties of 2-[(E)-(dimethylhydrazinylidene)methyl]-4-N-methylbenzene-1,4-diamine?
2-[(E)-(dimethylhydrazinylidene)methyl]-4-N-methylbenzene-1,4-diamine has a molecular weight of 192.27 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(dimethylhydrazinylidene)methyl]-4-N-methylbenzene-1,4-diamine is sourced from PubChem (CID 130443214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).