2-[2-[2-(2-amino-2-methylpropoxy)propan-2-yl]-4-methoxy-2,4-dimethylpentoxy]acetaldehyde

C17H35NO4 — CID 172605822

About 2-[2-[2-(2-amino-2-methylpropoxy)propan-2-yl]-4-methoxy-2,4-dimethylpentoxy]acetaldehyde

2-[2-[2-(2-amino-2-methylpropoxy)propan-2-yl]-4-methoxy-2,4-dimethylpentoxy]acetaldehyde (PubChem CID 172605822) has the molecular formula C17H35NO4 and a molecular weight of 317.47 g/mol. Its IUPAC name is 2-[2-[2-(2-amino-2-methylpropoxy)propan-2-yl]-4-methoxy-2,4-dimethylpentoxy]acetaldehyde.

Molecular Properties

• Compound Name: 2-[2-[2-(2-amino-2-methylpropoxy)propan-2-yl]-4-methoxy-2,4-dimethylpentoxy]acetaldehyde
• PubChem CID: 172605822
• Molecular Formula: C17H35NO4
• Molecular Weight: 317.47 g/mol
• Exact Mass: 317.26
• IUPAC Name: 2-[2-[2-(2-amino-2-methylpropoxy)propan-2-yl]-4-methoxy-2,4-dimethylpentoxy]acetaldehyde
• SMILES: COC(C)(C)CC(C)(COCC=O)C(C)(C)OCC(C)(C)N
• InChI: InChI=1S/C17H35NO4/c1-14(2,18)12-22-16(5,6)17(7,13-21-10-9-19)11-15(3,4)20-8/h9H,10-13,18H2,1-8H3
• InChIKey: LEPIOBJJZCHDKY-UHFFFAOYSA-N
• XLogP: 2.56
• TPSA: 70.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	317.47
LogP ≤ 5	2.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-amino-2-methylpropoxy)propan-2-yl]-4-methoxy-2,4-dimethylpentoxy]acetaldehyde?

The IUPAC name of 2-[2-[2-(2-amino-2-methylpropoxy)propan-2-yl]-4-methoxy-2,4-dimethylpentoxy]acetaldehyde (CID 172605822) is 2-[2-[2-(2-amino-2-methylpropoxy)propan-2-yl]-4-methoxy-2,4-dimethylpentoxy]acetaldehyde.

What is the SMILES notation for 2-[2-[2-(2-amino-2-methylpropoxy)propan-2-yl]-4-methoxy-2,4-dimethylpentoxy]acetaldehyde?

The canonical SMILES for 2-[2-[2-(2-amino-2-methylpropoxy)propan-2-yl]-4-methoxy-2,4-dimethylpentoxy]acetaldehyde is COC(C)(C)CC(C)(COCC=O)C(C)(C)OCC(C)(C)N.

What is the InChIKey of 2-[2-[2-(2-amino-2-methylpropoxy)propan-2-yl]-4-methoxy-2,4-dimethylpentoxy]acetaldehyde?

The InChIKey is LEPIOBJJZCHDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO4/c1-14(2,18)12-22-16(5,6)17(7,13-21-10-9-19)11-15(3,4)20-8/h9H,10-13,18H2,1-8H3.

What are the key properties of 2-[2-[2-(2-amino-2-methylpropoxy)propan-2-yl]-4-methoxy-2,4-dimethylpentoxy]acetaldehyde?

2-[2-[2-(2-amino-2-methylpropoxy)propan-2-yl]-4-methoxy-2,4-dimethylpentoxy]acetaldehyde has a molecular weight of 317.47 g/mol, XLogP of 2.56, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-(2-amino-2-methylpropoxy)propan-2-yl]-4-methoxy-2,4-dimethylpentoxy]acetaldehyde is sourced from PubChem (CID 172605822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).