2,4-diethyl-6-methylbenzene-1,3-diamine;4,6-diethyl-2-methylbenzene-1,3-diamine

C22H36N4 — CID 24834553

IUPAC2,4-diethyl-6-methylbenzene-1,3-diamine;4,6-diethyl-2-methylbenzene-1,3-diamine
SMILESCCc1cc(C)c(N)c(CC)c1N.CCc1cc(CC)c(N)c(C)c1N
InChIInChI=1S/2C11H18N2/c1-4-8-6-9(5-2)11(13)7(3)10(8)12;1-4-8-6-7(3)10(12)9(5-2)11(8)13/h2*6H,4-5,12-13H2,1-3H3
InChIKeyHGXVKAPCSIXGAK-UHFFFAOYSA-N
MW356.56 g/mol
LogP4.57
Rot. Bonds4

About 2,4-diethyl-6-methylbenzene-1,3-diamine;4,6-diethyl-2-methylbenzene-1,3-diamine

2,4-diethyl-6-methylbenzene-1,3-diamine;4,6-diethyl-2-methylbenzene-1,3-diamine (PubChem CID 24834553) has the molecular formula C22H36N4 and a molecular weight of 356.56 g/mol. Its IUPAC name is 2,4-diethyl-6-methylbenzene-1,3-diamine;4,6-diethyl-2-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name2,4-diethyl-6-methylbenzene-1,3-diamine;4,6-diethyl-2-methylbenzene-1,3-diamine
PubChem CID24834553
Molecular FormulaC22H36N4
Molecular Weight356.56 g/mol
Exact Mass356.29
IUPAC Name2,4-diethyl-6-methylbenzene-1,3-diamine;4,6-diethyl-2-methylbenzene-1,3-diamine
SMILESCCc1cc(C)c(N)c(CC)c1N.CCc1cc(CC)c(N)c(C)c1N
InChIInChI=1S/2C11H18N2/c1-4-8-6-9(5-2)11(13)7(3)10(8)12;1-4-8-6-7(3)10(12)9(5-2)11(8)13/h2*6H,4-5,12-13H2,1-3H3
InChIKeyHGXVKAPCSIXGAK-UHFFFAOYSA-N
XLogP4.57
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.56
LogP ≤ 54.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-diethyl-6-methylbenzene-1,3-diamine;4,6-diethyl-2-methylbenzene-1,3-diamine?
The IUPAC name of 2,4-diethyl-6-methylbenzene-1,3-diamine;4,6-diethyl-2-methylbenzene-1,3-diamine (CID 24834553) is 2,4-diethyl-6-methylbenzene-1,3-diamine;4,6-diethyl-2-methylbenzene-1,3-diamine.
What is the SMILES notation for 2,4-diethyl-6-methylbenzene-1,3-diamine;4,6-diethyl-2-methylbenzene-1,3-diamine?
The canonical SMILES for 2,4-diethyl-6-methylbenzene-1,3-diamine;4,6-diethyl-2-methylbenzene-1,3-diamine is CCc1cc(C)c(N)c(CC)c1N.CCc1cc(CC)c(N)c(C)c1N.
What is the InChIKey of 2,4-diethyl-6-methylbenzene-1,3-diamine;4,6-diethyl-2-methylbenzene-1,3-diamine?
The InChIKey is HGXVKAPCSIXGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H18N2/c1-4-8-6-9(5-2)11(13)7(3)10(8)12;1-4-8-6-7(3)10(12)9(5-2)11(8)13/h2*6H,4-5,12-13H2,1-3H3.
What are the key properties of 2,4-diethyl-6-methylbenzene-1,3-diamine;4,6-diethyl-2-methylbenzene-1,3-diamine?
2,4-diethyl-6-methylbenzene-1,3-diamine;4,6-diethyl-2-methylbenzene-1,3-diamine has a molecular weight of 356.56 g/mol, XLogP of 4.57, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethyl-6-methylbenzene-1,3-diamine;4,6-diethyl-2-methylbenzene-1,3-diamine is sourced from PubChem (CID 24834553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).