4,5-dimethylbenzene-1,2,3-triamine

C8H13N3 — CID 22715012

IUPAC4,5-dimethylbenzene-1,2,3-triamine
SMILESCc1cc(N)c(N)c(N)c1C
InChIInChI=1S/C8H13N3/c1-4-3-6(9)8(11)7(10)5(4)2/h3H,9-11H2,1-2H3
InChIKeyWEXBRLCGOKHQIJ-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.05
Rot. Bonds

About 4,5-dimethylbenzene-1,2,3-triamine

4,5-dimethylbenzene-1,2,3-triamine (PubChem CID 22715012) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 4,5-dimethylbenzene-1,2,3-triamine.

Molecular Properties

Compound Name4,5-dimethylbenzene-1,2,3-triamine
PubChem CID22715012
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name4,5-dimethylbenzene-1,2,3-triamine
SMILESCc1cc(N)c(N)c(N)c1C
InChIInChI=1S/C8H13N3/c1-4-3-6(9)8(11)7(10)5(4)2/h3H,9-11H2,1-2H3
InChIKeyWEXBRLCGOKHQIJ-UHFFFAOYSA-N
XLogP1.05
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-dimethylbenzene-1,2,3-triamine?
The IUPAC name of 4,5-dimethylbenzene-1,2,3-triamine (CID 22715012) is 4,5-dimethylbenzene-1,2,3-triamine.
What is the SMILES notation for 4,5-dimethylbenzene-1,2,3-triamine?
The canonical SMILES for 4,5-dimethylbenzene-1,2,3-triamine is Cc1cc(N)c(N)c(N)c1C.
What is the InChIKey of 4,5-dimethylbenzene-1,2,3-triamine?
The InChIKey is WEXBRLCGOKHQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-4-3-6(9)8(11)7(10)5(4)2/h3H,9-11H2,1-2H3.
What are the key properties of 4,5-dimethylbenzene-1,2,3-triamine?
4,5-dimethylbenzene-1,2,3-triamine has a molecular weight of 151.21 g/mol, XLogP of 1.05, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethylbenzene-1,2,3-triamine is sourced from PubChem (CID 22715012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).