propane-1,1,3-triamine

C3H11N3 — CID 19354539

About propane-1,1,3-triamine

propane-1,1,3-triamine (PubChem CID 19354539) has the molecular formula C3H11N3 and a molecular weight of 89.14 g/mol. Its IUPAC name is propane-1,1,3-triamine.

Molecular Properties

• Compound Name: propane-1,1,3-triamine
• PubChem CID: 19354539
• Molecular Formula: C3H11N3
• Molecular Weight: 89.14 g/mol
• Exact Mass: 89.10
• IUPAC Name: propane-1,1,3-triamine
• SMILES: NCCC(N)N
• InChI: InChI=1S/C3H11N3/c4-2-1-3(5)6/h3H,1-2,4-6H2
• InChIKey: XNYADZUHUHIGRZ-UHFFFAOYSA-N
• XLogP: -1.42
• TPSA: 78.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 6
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	89.14
LogP ≤ 5	-1.42
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of propane-1,1,3-triamine?

The IUPAC name of propane-1,1,3-triamine (CID 19354539) is propane-1,1,3-triamine.

What is the SMILES notation for propane-1,1,3-triamine?

The canonical SMILES for propane-1,1,3-triamine is NCCC(N)N.

What is the InChIKey of propane-1,1,3-triamine?

The InChIKey is XNYADZUHUHIGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H11N3/c4-2-1-3(5)6/h3H,1-2,4-6H2.

What are the key properties of propane-1,1,3-triamine?

propane-1,1,3-triamine has a molecular weight of 89.14 g/mol, XLogP of -1.42, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for propane-1,1,3-triamine is sourced from PubChem (CID 19354539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).