4-N,4-N-diethyl-2,6-dimethylbenzene-1,4-diamine

C12H20N2 — CID 14746073

IUPAC4-N,4-N-diethyl-2,6-dimethylbenzene-1,4-diamine
SMILESCCN(CC)c1cc(C)c(N)c(C)c1
InChIInChI=1S/C12H20N2/c1-5-14(6-2)11-7-9(3)12(13)10(4)8-11/h7-8H,5-6,13H2,1-4H3
InChIKeyYTEPJDDAQWIJEP-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.73
Rot. Bonds3

About 4-N,4-N-diethyl-2,6-dimethylbenzene-1,4-diamine

4-N,4-N-diethyl-2,6-dimethylbenzene-1,4-diamine (PubChem CID 14746073) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 4-N,4-N-diethyl-2,6-dimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-diethyl-2,6-dimethylbenzene-1,4-diamine
PubChem CID14746073
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name4-N,4-N-diethyl-2,6-dimethylbenzene-1,4-diamine
SMILESCCN(CC)c1cc(C)c(N)c(C)c1
InChIInChI=1S/C12H20N2/c1-5-14(6-2)11-7-9(3)12(13)10(4)8-11/h7-8H,5-6,13H2,1-4H3
InChIKeyYTEPJDDAQWIJEP-UHFFFAOYSA-N
XLogP2.73
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethyl-2,6-dimethylbenzene-1,4-diamine?
The IUPAC name of 4-N,4-N-diethyl-2,6-dimethylbenzene-1,4-diamine (CID 14746073) is 4-N,4-N-diethyl-2,6-dimethylbenzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N-diethyl-2,6-dimethylbenzene-1,4-diamine?
The canonical SMILES for 4-N,4-N-diethyl-2,6-dimethylbenzene-1,4-diamine is CCN(CC)c1cc(C)c(N)c(C)c1.
What is the InChIKey of 4-N,4-N-diethyl-2,6-dimethylbenzene-1,4-diamine?
The InChIKey is YTEPJDDAQWIJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-5-14(6-2)11-7-9(3)12(13)10(4)8-11/h7-8H,5-6,13H2,1-4H3.
What are the key properties of 4-N,4-N-diethyl-2,6-dimethylbenzene-1,4-diamine?
4-N,4-N-diethyl-2,6-dimethylbenzene-1,4-diamine has a molecular weight of 192.31 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethyl-2,6-dimethylbenzene-1,4-diamine is sourced from PubChem (CID 14746073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).