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

C8H13N3 — CID 54012745

IUPAC3-N,4-dimethylbenzene-1,2,3-triamine
SMILESCNc1c(C)ccc(N)c1N
InChIInChI=1S/C8H13N3/c1-5-3-4-6(9)7(10)8(5)11-2/h3-4,11H,9-10H2,1-2H3
InChIKeyKTNFKDJRPNICKZ-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.20
Rot. Bonds1

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

3-N,4-dimethylbenzene-1,2,3-triamine (PubChem CID 54012745) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 3-N,4-dimethylbenzene-1,2,3-triamine.

Molecular Properties

Compound Name3-N,4-dimethylbenzene-1,2,3-triamine
PubChem CID54012745
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name3-N,4-dimethylbenzene-1,2,3-triamine
SMILESCNc1c(C)ccc(N)c1N
InChIInChI=1S/C8H13N3/c1-5-3-4-6(9)7(10)8(5)11-2/h3-4,11H,9-10H2,1-2H3
InChIKeyKTNFKDJRPNICKZ-UHFFFAOYSA-N
XLogP1.20
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.20
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 3-N,4-dimethylbenzene-1,2,3-triamine?
The IUPAC name of 3-N,4-dimethylbenzene-1,2,3-triamine (CID 54012745) is 3-N,4-dimethylbenzene-1,2,3-triamine.
What is the SMILES notation for 3-N,4-dimethylbenzene-1,2,3-triamine?
The canonical SMILES for 3-N,4-dimethylbenzene-1,2,3-triamine is CNc1c(C)ccc(N)c1N.
What is the InChIKey of 3-N,4-dimethylbenzene-1,2,3-triamine?
The InChIKey is KTNFKDJRPNICKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-5-3-4-6(9)7(10)8(5)11-2/h3-4,11H,9-10H2,1-2H3.
What are the key properties of 3-N,4-dimethylbenzene-1,2,3-triamine?
3-N,4-dimethylbenzene-1,2,3-triamine has a molecular weight of 151.21 g/mol, XLogP of 1.20, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,4-dimethylbenzene-1,2,3-triamine is sourced from PubChem (CID 54012745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).