4,5-diethyl-2-methylbenzene-1,3-diamine

C11H18N2 — CID 18509595

IUPAC4,5-diethyl-2-methylbenzene-1,3-diamine
SMILESCCc1cc(N)c(C)c(N)c1CC
InChIInChI=1S/C11H18N2/c1-4-8-6-10(12)7(3)11(13)9(8)5-2/h6H,4-5,12-13H2,1-3H3
InChIKeyAGADQOXLGWJQTG-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.28
Rot. Bonds2

About 4,5-diethyl-2-methylbenzene-1,3-diamine

4,5-diethyl-2-methylbenzene-1,3-diamine (PubChem CID 18509595) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 4,5-diethyl-2-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name4,5-diethyl-2-methylbenzene-1,3-diamine
PubChem CID18509595
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name4,5-diethyl-2-methylbenzene-1,3-diamine
SMILESCCc1cc(N)c(C)c(N)c1CC
InChIInChI=1S/C11H18N2/c1-4-8-6-10(12)7(3)11(13)9(8)5-2/h6H,4-5,12-13H2,1-3H3
InChIKeyAGADQOXLGWJQTG-UHFFFAOYSA-N
XLogP2.28
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.28
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 4,5-diethyl-2-methylbenzene-1,3-diamine?
The IUPAC name of 4,5-diethyl-2-methylbenzene-1,3-diamine (CID 18509595) is 4,5-diethyl-2-methylbenzene-1,3-diamine.
What is the SMILES notation for 4,5-diethyl-2-methylbenzene-1,3-diamine?
The canonical SMILES for 4,5-diethyl-2-methylbenzene-1,3-diamine is CCc1cc(N)c(C)c(N)c1CC.
What is the InChIKey of 4,5-diethyl-2-methylbenzene-1,3-diamine?
The InChIKey is AGADQOXLGWJQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-4-8-6-10(12)7(3)11(13)9(8)5-2/h6H,4-5,12-13H2,1-3H3.
What are the key properties of 4,5-diethyl-2-methylbenzene-1,3-diamine?
4,5-diethyl-2-methylbenzene-1,3-diamine has a molecular weight of 178.28 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diethyl-2-methylbenzene-1,3-diamine is sourced from PubChem (CID 18509595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).