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

C12H20N2 — CID 21995

IUPAC4-N,4-N-diethyl-1-N,1-N-dimethylbenzene-1,4-diamine
SMILESCCN(CC)c1ccc(N(C)C)cc1
InChIInChI=1S/C12H20N2/c1-5-14(6-2)12-9-7-11(8-10-12)13(3)4/h7-10H,5-6H2,1-4H3
InChIKeyOJFZNBIUPJRIJM-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.60
Rot. Bonds4

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

4-N,4-N-diethyl-1-N,1-N-dimethylbenzene-1,4-diamine (PubChem CID 21995) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 4-N,4-N-diethyl-1-N,1-N-dimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-diethyl-1-N,1-N-dimethylbenzene-1,4-diamine
PubChem CID21995
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name4-N,4-N-diethyl-1-N,1-N-dimethylbenzene-1,4-diamine
SMILESCCN(CC)c1ccc(N(C)C)cc1
InChIInChI=1S/C12H20N2/c1-5-14(6-2)12-9-7-11(8-10-12)13(3)4/h7-10H,5-6H2,1-4H3
InChIKeyOJFZNBIUPJRIJM-UHFFFAOYSA-N
XLogP2.60
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-Dimethylaniline
CID 949
C.I. Solvent Yellow 2
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N,N-dimethyl-4-nitrosoaniline
CID 8749
N-Ethylaniline
CID 7670
N,N-dimethyl-p-phenylenediamine
CID 7472
N-Isopropylaniline
CID 13032
N,N-Diethyl-p-phenylenediamine
CID 7120
Fenaminosulf
CID 23668198
N,N-Diethylaniline
CID 7061
N,N,N',N'-tetramethyl-p-phenylenediamine
CID 7490
N,N'-Di-sec-butyl-p-phenylenediamine
CID 7589

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethyl-1-N,1-N-dimethylbenzene-1,4-diamine?
The IUPAC name of 4-N,4-N-diethyl-1-N,1-N-dimethylbenzene-1,4-diamine (CID 21995) is 4-N,4-N-diethyl-1-N,1-N-dimethylbenzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N-diethyl-1-N,1-N-dimethylbenzene-1,4-diamine?
The canonical SMILES for 4-N,4-N-diethyl-1-N,1-N-dimethylbenzene-1,4-diamine is CCN(CC)c1ccc(N(C)C)cc1.
What is the InChIKey of 4-N,4-N-diethyl-1-N,1-N-dimethylbenzene-1,4-diamine?
The InChIKey is OJFZNBIUPJRIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-5-14(6-2)12-9-7-11(8-10-12)13(3)4/h7-10H,5-6H2,1-4H3.
What are the key properties of 4-N,4-N-diethyl-1-N,1-N-dimethylbenzene-1,4-diamine?
4-N,4-N-diethyl-1-N,1-N-dimethylbenzene-1,4-diamine has a molecular weight of 192.31 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethyl-1-N,1-N-dimethylbenzene-1,4-diamine is sourced from PubChem (CID 21995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).