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

C11H18N2 — CID 3018588

IUPAC3,4-diethyl-6-methylbenzene-1,2-diamine
SMILESCCc1cc(C)c(N)c(N)c1CC
InChIInChI=1S/C11H18N2/c1-4-8-6-7(3)10(12)11(13)9(8)5-2/h6H,4-5,12-13H2,1-3H3
InChIKeyNPECRXRQVYMQGY-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.28
Rot. Bonds2

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

3,4-diethyl-6-methylbenzene-1,2-diamine (PubChem CID 3018588) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 3,4-diethyl-6-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name3,4-diethyl-6-methylbenzene-1,2-diamine
PubChem CID3018588
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name3,4-diethyl-6-methylbenzene-1,2-diamine
SMILESCCc1cc(C)c(N)c(N)c1CC
InChIInChI=1S/C11H18N2/c1-4-8-6-7(3)10(12)11(13)9(8)5-2/h6H,4-5,12-13H2,1-3H3
InChIKeyNPECRXRQVYMQGY-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 3,4-diethyl-6-methylbenzene-1,2-diamine?
The IUPAC name of 3,4-diethyl-6-methylbenzene-1,2-diamine (CID 3018588) is 3,4-diethyl-6-methylbenzene-1,2-diamine.
What is the SMILES notation for 3,4-diethyl-6-methylbenzene-1,2-diamine?
The canonical SMILES for 3,4-diethyl-6-methylbenzene-1,2-diamine is CCc1cc(C)c(N)c(N)c1CC.
What is the InChIKey of 3,4-diethyl-6-methylbenzene-1,2-diamine?
The InChIKey is NPECRXRQVYMQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-4-8-6-7(3)10(12)11(13)9(8)5-2/h6H,4-5,12-13H2,1-3H3.
What are the key properties of 3,4-diethyl-6-methylbenzene-1,2-diamine?
3,4-diethyl-6-methylbenzene-1,2-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 3,4-diethyl-6-methylbenzene-1,2-diamine is sourced from PubChem (CID 3018588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).