2-methoxy-N'-(2,4,4-trimethylpentan-2-yl)propane-1,3-diamine

C₁₂H₂₈N₂O — CID 106114726

About 2-methoxy-N'-(2,4,4-trimethylpentan-2-yl)propane-1,3-diamine

2-methoxy-N'-(2,4,4-trimethylpentan-2-yl)propane-1,3-diamine (PubChem CID 106114726) has the molecular formula C₁₂H₂₈N₂O and a molecular weight of 216.37 g/mol. Its IUPAC name is 2-methoxy-N'-(2,4,4-trimethylpentan-2-yl)propane-1,3-diamine.

Molecular Properties

• Compound Name: 2-methoxy-N'-(2,4,4-trimethylpentan-2-yl)propane-1,3-diamine
• PubChem CID: 106114726
• Molecular Formula: C₁₂H₂₈N₂O
• Molecular Weight: 216.37 g/mol
• Exact Mass: 216.22
• IUPAC Name: 2-methoxy-N'-(2,4,4-trimethylpentan-2-yl)propane-1,3-diamine
• SMILES: COC(CN)CNC(C)(C)CC(C)(C)C
• InChI: InChI=1S/C12H28N2O/c1-11(2,3)9-12(4,5)14-8-10(7-13)15-6/h10,14H,7-9,13H2,1-6H3
• InChIKey: RDKIZONOSRAABC-UHFFFAOYSA-N
• XLogP: 1.76
• TPSA: 47.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	216.37
LogP ≤ 5	1.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N'-(2,4,4-trimethylpentan-2-yl)propane-1,3-diamine?

The IUPAC name of 2-methoxy-N'-(2,4,4-trimethylpentan-2-yl)propane-1,3-diamine (CID 106114726) is 2-methoxy-N'-(2,4,4-trimethylpentan-2-yl)propane-1,3-diamine.

What is the SMILES notation for 2-methoxy-N'-(2,4,4-trimethylpentan-2-yl)propane-1,3-diamine?

The canonical SMILES for 2-methoxy-N'-(2,4,4-trimethylpentan-2-yl)propane-1,3-diamine is COC(CN)CNC(C)(C)CC(C)(C)C.

What is the InChIKey of 2-methoxy-N'-(2,4,4-trimethylpentan-2-yl)propane-1,3-diamine?

The InChIKey is RDKIZONOSRAABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-11(2,3)9-12(4,5)14-8-10(7-13)15-6/h10,14H,7-9,13H2,1-6H3.

What are the key properties of 2-methoxy-N'-(2,4,4-trimethylpentan-2-yl)propane-1,3-diamine?

2-methoxy-N'-(2,4,4-trimethylpentan-2-yl)propane-1,3-diamine has a molecular weight of 216.37 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxy-N'-(2,4,4-trimethylpentan-2-yl)propane-1,3-diamine is sourced from PubChem (CID 106114726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 106114726 — identifiers, structure, computed properties (public domain)

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