4-propan-2-ylbenzene-1,2,3-triamine

C9H15N3 — CID 163998803

IUPAC4-propan-2-ylbenzene-1,2,3-triamine
SMILESCC(C)c1ccc(N)c(N)c1N
InChIInChI=1S/C9H15N3/c1-5(2)6-3-4-7(10)9(12)8(6)11/h3-5H,10-12H2,1-2H3
InChIKeyUHCADUMXKHLJCV-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.56
Rot. Bonds1

About 4-propan-2-ylbenzene-1,2,3-triamine

4-propan-2-ylbenzene-1,2,3-triamine (PubChem CID 163998803) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 4-propan-2-ylbenzene-1,2,3-triamine.

Molecular Properties

Compound Name4-propan-2-ylbenzene-1,2,3-triamine
PubChem CID163998803
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name4-propan-2-ylbenzene-1,2,3-triamine
SMILESCC(C)c1ccc(N)c(N)c1N
InChIInChI=1S/C9H15N3/c1-5(2)6-3-4-7(10)9(12)8(6)11/h3-5H,10-12H2,1-2H3
InChIKeyUHCADUMXKHLJCV-UHFFFAOYSA-N
XLogP1.56
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.56
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-propan-2-ylbenzene-1,2,3-triamine?
The IUPAC name of 4-propan-2-ylbenzene-1,2,3-triamine (CID 163998803) is 4-propan-2-ylbenzene-1,2,3-triamine.
What is the SMILES notation for 4-propan-2-ylbenzene-1,2,3-triamine?
The canonical SMILES for 4-propan-2-ylbenzene-1,2,3-triamine is CC(C)c1ccc(N)c(N)c1N.
What is the InChIKey of 4-propan-2-ylbenzene-1,2,3-triamine?
The InChIKey is UHCADUMXKHLJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-5(2)6-3-4-7(10)9(12)8(6)11/h3-5H,10-12H2,1-2H3.
What are the key properties of 4-propan-2-ylbenzene-1,2,3-triamine?
4-propan-2-ylbenzene-1,2,3-triamine has a molecular weight of 165.24 g/mol, XLogP of 1.56, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-ylbenzene-1,2,3-triamine is sourced from PubChem (CID 163998803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).