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

C10H16N2 — CID 7120

IUPAC4-N,4-N-diethylbenzene-1,4-diamine
SMILESCCN(CC)c1ccc(N)cc1
InChIInChI=1S/C10H16N2/c1-3-12(4-2)10-7-5-9(11)6-8-10/h5-8H,3-4,11H2,1-2H3
InChIKeyQNGVNLMMEQUVQK-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.12
Rot. Bonds3

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

4-N,4-N-diethylbenzene-1,4-diamine (PubChem CID 7120) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 4-N,4-N-diethylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-diethylbenzene-1,4-diamine
PubChem CID7120
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name4-N,4-N-diethylbenzene-1,4-diamine
SMILESCCN(CC)c1ccc(N)cc1
InChIInChI=1S/C10H16N2/c1-3-12(4-2)10-7-5-9(11)6-8-10/h5-8H,3-4,11H2,1-2H3
InChIKeyQNGVNLMMEQUVQK-UHFFFAOYSA-N
XLogP2.12
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.12
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-diethylbenzene-1,4-diamine?
The IUPAC name of 4-N,4-N-diethylbenzene-1,4-diamine (CID 7120) is 4-N,4-N-diethylbenzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N-diethylbenzene-1,4-diamine?
The canonical SMILES for 4-N,4-N-diethylbenzene-1,4-diamine is CCN(CC)c1ccc(N)cc1.
What is the InChIKey of 4-N,4-N-diethylbenzene-1,4-diamine?
The InChIKey is QNGVNLMMEQUVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-3-12(4-2)10-7-5-9(11)6-8-10/h5-8H,3-4,11H2,1-2H3.
What are the key properties of 4-N,4-N-diethylbenzene-1,4-diamine?
4-N,4-N-diethylbenzene-1,4-diamine has a molecular weight of 164.25 g/mol, XLogP of 2.12, 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-diethylbenzene-1,4-diamine is sourced from PubChem (CID 7120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).