4-N,4-N-diethylbenzene-1,2,4-triamine

C10H17N3 — CID 23331908

IUPAC4-N,4-N-diethylbenzene-1,2,4-triamine
SMILESCCN(CC)c1ccc(N)c(N)c1
InChIInChI=1S/C10H17N3/c1-3-13(4-2)8-5-6-9(11)10(12)7-8/h5-7H,3-4,11-12H2,1-2H3
InChIKeyWBESZLACIAKKAS-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.70
Rot. Bonds3

About 4-N,4-N-diethylbenzene-1,2,4-triamine

4-N,4-N-diethylbenzene-1,2,4-triamine (PubChem CID 23331908) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 4-N,4-N-diethylbenzene-1,2,4-triamine.

Molecular Properties

Compound Name4-N,4-N-diethylbenzene-1,2,4-triamine
PubChem CID23331908
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name4-N,4-N-diethylbenzene-1,2,4-triamine
SMILESCCN(CC)c1ccc(N)c(N)c1
InChIInChI=1S/C10H17N3/c1-3-13(4-2)8-5-6-9(11)10(12)7-8/h5-7H,3-4,11-12H2,1-2H3
InChIKeyWBESZLACIAKKAS-UHFFFAOYSA-N
XLogP1.70
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.70
H-Bond Donors ≤ 52
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-N,4-N-diethylbenzene-1,2,4-triamine?
The IUPAC name of 4-N,4-N-diethylbenzene-1,2,4-triamine (CID 23331908) is 4-N,4-N-diethylbenzene-1,2,4-triamine.
What is the SMILES notation for 4-N,4-N-diethylbenzene-1,2,4-triamine?
The canonical SMILES for 4-N,4-N-diethylbenzene-1,2,4-triamine is CCN(CC)c1ccc(N)c(N)c1.
What is the InChIKey of 4-N,4-N-diethylbenzene-1,2,4-triamine?
The InChIKey is WBESZLACIAKKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-3-13(4-2)8-5-6-9(11)10(12)7-8/h5-7H,3-4,11-12H2,1-2H3.
What are the key properties of 4-N,4-N-diethylbenzene-1,2,4-triamine?
4-N,4-N-diethylbenzene-1,2,4-triamine has a molecular weight of 179.27 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethylbenzene-1,2,4-triamine is sourced from PubChem (CID 23331908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).