1-N,4-N-diethylbenzene-1,4-diamine

C10H16N2 — CID 18165

IUPAC1-N,4-N-diethylbenzene-1,4-diamine
SMILESCCNc1ccc(NCC)cc1
InChIInChI=1S/C10H16N2/c1-3-11-9-5-7-10(8-6-9)12-4-2/h5-8,11-12H,3-4H2,1-2H3
InChIKeyZEMODTUZIWTRPF-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.55
Rot. Bonds4

About 1-N,4-N-diethylbenzene-1,4-diamine

1-N,4-N-diethylbenzene-1,4-diamine (PubChem CID 18165) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 1-N,4-N-diethylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-diethylbenzene-1,4-diamine
PubChem CID18165
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name1-N,4-N-diethylbenzene-1,4-diamine
SMILESCCNc1ccc(NCC)cc1
InChIInChI=1S/C10H16N2/c1-3-11-9-5-7-10(8-6-9)12-4-2/h5-8,11-12H,3-4H2,1-2H3
InChIKeyZEMODTUZIWTRPF-UHFFFAOYSA-N
XLogP2.55
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-diethylbenzene-1,4-diamine?
The IUPAC name of 1-N,4-N-diethylbenzene-1,4-diamine (CID 18165) is 1-N,4-N-diethylbenzene-1,4-diamine.
What is the SMILES notation for 1-N,4-N-diethylbenzene-1,4-diamine?
The canonical SMILES for 1-N,4-N-diethylbenzene-1,4-diamine is CCNc1ccc(NCC)cc1.
What is the InChIKey of 1-N,4-N-diethylbenzene-1,4-diamine?
The InChIKey is ZEMODTUZIWTRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-3-11-9-5-7-10(8-6-9)12-4-2/h5-8,11-12H,3-4H2,1-2H3.
What are the key properties of 1-N,4-N-diethylbenzene-1,4-diamine?
1-N,4-N-diethylbenzene-1,4-diamine has a molecular weight of 164.25 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-diethylbenzene-1,4-diamine is sourced from PubChem (CID 18165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).