4-N,4-N-dimethylbenzene-1,4-diamine

C8H12N2 — CID 7472

IUPAC4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCN(C)c1ccc(N)cc1
InChIInChI=1S/C8H12N2/c1-10(2)8-5-3-7(9)4-6-8/h3-6H,9H2,1-2H3
InChIKeyBZORFPDSXLZWJF-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.33
Rot. Bonds1

About 4-N,4-N-dimethylbenzene-1,4-diamine

4-N,4-N-dimethylbenzene-1,4-diamine (PubChem CID 7472) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 4-N,4-N-dimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethylbenzene-1,4-diamine
PubChem CID7472
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCN(C)c1ccc(N)cc1
InChIInChI=1S/C8H12N2/c1-10(2)8-5-3-7(9)4-6-8/h3-6H,9H2,1-2H3
InChIKeyBZORFPDSXLZWJF-UHFFFAOYSA-N
XLogP1.33
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethylbenzene-1,4-diamine?
The IUPAC name of 4-N,4-N-dimethylbenzene-1,4-diamine (CID 7472) is 4-N,4-N-dimethylbenzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N-dimethylbenzene-1,4-diamine?
The canonical SMILES for 4-N,4-N-dimethylbenzene-1,4-diamine is CN(C)c1ccc(N)cc1.
What is the InChIKey of 4-N,4-N-dimethylbenzene-1,4-diamine?
The InChIKey is BZORFPDSXLZWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-10(2)8-5-3-7(9)4-6-8/h3-6H,9H2,1-2H3.
What are the key properties of 4-N,4-N-dimethylbenzene-1,4-diamine?
4-N,4-N-dimethylbenzene-1,4-diamine has a molecular weight of 136.20 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethylbenzene-1,4-diamine is sourced from PubChem (CID 7472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).