2,6-diethylbenzene-1,4-diamine

C10H16N2 — CID 10154207

IUPAC2,6-diethylbenzene-1,4-diamine
SMILESCCc1cc(N)cc(CC)c1N
InChIInChI=1S/C10H16N2/c1-3-7-5-9(11)6-8(4-2)10(7)12/h5-6H,3-4,11-12H2,1-2H3
InChIKeyKEEQZNSCYCPKOJ-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.98
Rot. Bonds2

About 2,6-diethylbenzene-1,4-diamine

2,6-diethylbenzene-1,4-diamine (PubChem CID 10154207) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 2,6-diethylbenzene-1,4-diamine.

Molecular Properties

Compound Name2,6-diethylbenzene-1,4-diamine
PubChem CID10154207
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name2,6-diethylbenzene-1,4-diamine
SMILESCCc1cc(N)cc(CC)c1N
InChIInChI=1S/C10H16N2/c1-3-7-5-9(11)6-8(4-2)10(7)12/h5-6H,3-4,11-12H2,1-2H3
InChIKeyKEEQZNSCYCPKOJ-UHFFFAOYSA-N
XLogP1.98
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.98
H-Bond Donors ≤ 52
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 2,6-diethylbenzene-1,4-diamine?
The IUPAC name of 2,6-diethylbenzene-1,4-diamine (CID 10154207) is 2,6-diethylbenzene-1,4-diamine.
What is the SMILES notation for 2,6-diethylbenzene-1,4-diamine?
The canonical SMILES for 2,6-diethylbenzene-1,4-diamine is CCc1cc(N)cc(CC)c1N.
What is the InChIKey of 2,6-diethylbenzene-1,4-diamine?
The InChIKey is KEEQZNSCYCPKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-3-7-5-9(11)6-8(4-2)10(7)12/h5-6H,3-4,11-12H2,1-2H3.
What are the key properties of 2,6-diethylbenzene-1,4-diamine?
2,6-diethylbenzene-1,4-diamine has a molecular weight of 164.25 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diethylbenzene-1,4-diamine is sourced from PubChem (CID 10154207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).