2-N-(5-tert-butyl-2-pyridinyl)-1-N,1-N,3-trimethylbutane-1,2-diamine

C₁₆H₂₉N₃ — CID 107874578

About 2-N-(5-tert-butyl-2-pyridinyl)-1-N,1-N,3-trimethylbutane-1,2-diamine

2-N-(5-tert-butyl-2-pyridinyl)-1-N,1-N,3-trimethylbutane-1,2-diamine (PubChem CID 107874578) has the molecular formula C₁₆H₂₉N₃ and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-N-(5-tert-butyl-2-pyridinyl)-1-N,1-N,3-trimethylbutane-1,2-diamine.

Molecular Properties

• Compound Name: 2-N-(5-tert-butyl-2-pyridinyl)-1-N,1-N,3-trimethylbutane-1,2-diamine
• PubChem CID: 107874578
• Molecular Formula: C₁₆H₂₉N₃
• Molecular Weight: 263.43 g/mol
• Exact Mass: 263.24
• IUPAC Name: 2-N-(5-tert-butyl-2-pyridinyl)-1-N,1-N,3-trimethylbutane-1,2-diamine
• SMILES: CC(C)C(CN(C)C)Nc1ccc(C(C)(C)C)cn1
• InChI: InChI=1S/C16H29N3/c1-12(2)14(11-19(6)7)18-15-9-8-13(10-17-15)16(3,4)5/h8-10,12,14H,11H2,1-7H3,(H,17,18)
• InChIKey: XNTCQDGKZZKGOD-UHFFFAOYSA-N
• XLogP: 3.38
• TPSA: 28.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	263.43
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-N-(5-tert-butyl-2-pyridinyl)-1-N,1-N,3-trimethylbutane-1,2-diamine?

The IUPAC name of 2-N-(5-tert-butyl-2-pyridinyl)-1-N,1-N,3-trimethylbutane-1,2-diamine (CID 107874578) is 2-N-(5-tert-butyl-2-pyridinyl)-1-N,1-N,3-trimethylbutane-1,2-diamine.

What is the SMILES notation for 2-N-(5-tert-butyl-2-pyridinyl)-1-N,1-N,3-trimethylbutane-1,2-diamine?

The canonical SMILES for 2-N-(5-tert-butyl-2-pyridinyl)-1-N,1-N,3-trimethylbutane-1,2-diamine is CC(C)C(CN(C)C)Nc1ccc(C(C)(C)C)cn1.

What is the InChIKey of 2-N-(5-tert-butyl-2-pyridinyl)-1-N,1-N,3-trimethylbutane-1,2-diamine?

The InChIKey is XNTCQDGKZZKGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-12(2)14(11-19(6)7)18-15-9-8-13(10-17-15)16(3,4)5/h8-10,12,14H,11H2,1-7H3,(H,17,18).

What are the key properties of 2-N-(5-tert-butyl-2-pyridinyl)-1-N,1-N,3-trimethylbutane-1,2-diamine?

2-N-(5-tert-butyl-2-pyridinyl)-1-N,1-N,3-trimethylbutane-1,2-diamine has a molecular weight of 263.43 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-(5-tert-butyl-2-pyridinyl)-1-N,1-N,3-trimethylbutane-1,2-diamine is sourced from PubChem (CID 107874578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 107874578 — identifiers, structure, computed properties (public domain)

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