4,5-diethyl-3,6-dimethylbenzene-1,2-diamine

C12H20N2 — CID 174838412

IUPAC4,5-diethyl-3,6-dimethylbenzene-1,2-diamine
SMILESCCc1c(C)c(N)c(N)c(C)c1CC
InChIInChI=1S/C12H20N2/c1-5-9-7(3)11(13)12(14)8(4)10(9)6-2/h5-6,13-14H2,1-4H3
InChIKeyQDNYWXPMGFEUJQ-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.59
Rot. Bonds2

About 4,5-diethyl-3,6-dimethylbenzene-1,2-diamine

4,5-diethyl-3,6-dimethylbenzene-1,2-diamine (PubChem CID 174838412) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 4,5-diethyl-3,6-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name4,5-diethyl-3,6-dimethylbenzene-1,2-diamine
PubChem CID174838412
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name4,5-diethyl-3,6-dimethylbenzene-1,2-diamine
SMILESCCc1c(C)c(N)c(N)c(C)c1CC
InChIInChI=1S/C12H20N2/c1-5-9-7(3)11(13)12(14)8(4)10(9)6-2/h5-6,13-14H2,1-4H3
InChIKeyQDNYWXPMGFEUJQ-UHFFFAOYSA-N
XLogP2.59
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.59
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-3,6-dimethylbenzene-1,2-diamine?
The IUPAC name of 4,5-diethyl-3,6-dimethylbenzene-1,2-diamine (CID 174838412) is 4,5-diethyl-3,6-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 4,5-diethyl-3,6-dimethylbenzene-1,2-diamine?
The canonical SMILES for 4,5-diethyl-3,6-dimethylbenzene-1,2-diamine is CCc1c(C)c(N)c(N)c(C)c1CC.
What is the InChIKey of 4,5-diethyl-3,6-dimethylbenzene-1,2-diamine?
The InChIKey is QDNYWXPMGFEUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-5-9-7(3)11(13)12(14)8(4)10(9)6-2/h5-6,13-14H2,1-4H3.
What are the key properties of 4,5-diethyl-3,6-dimethylbenzene-1,2-diamine?
4,5-diethyl-3,6-dimethylbenzene-1,2-diamine has a molecular weight of 192.31 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diethyl-3,6-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 174838412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).