DQUPMPZAXOAWIE-XNTDXEJSSA-N

C₁₄H₂₇NO₂ — CID 59249657

About DQUPMPZAXOAWIE-XNTDXEJSSA-N

DQUPMPZAXOAWIE-XNTDXEJSSA-N (PubChem CID 59249657) has the molecular formula C₁₄H₂₇NO₂ and a molecular weight of 241.37 g/mol. Its IUPAC name is tert-butyl 2-[(3-ethyl-3-methylpentylidene)amino]acetate.

Molecular Properties

• Compound Name: DQUPMPZAXOAWIE-XNTDXEJSSA-N
• PubChem CID: 59249657
• Molecular Formula: C₁₄H₂₇NO₂
• Molecular Weight: 241.37 g/mol
• Exact Mass: 241.20
• IUPAC Name: tert-butyl 2-[(3-ethyl-3-methylpentylidene)amino]acetate
• SMILES: CCC(C)(CC)C/C=N/CC(=O)OC(C)(C)C
• InChI: InChI=1S/C14H27NO2/c1-7-14(6,8-2)9-10-15-11-12(16)17-13(3,4)5/h10H,7-9,11H2,1-6H3/b15-10+
• InChIKey: DQUPMPZAXOAWIE-XNTDXEJSSA-N
• XLogP: 3.62
• TPSA: 38.66 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	241.37
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of DQUPMPZAXOAWIE-XNTDXEJSSA-N?

The IUPAC name of DQUPMPZAXOAWIE-XNTDXEJSSA-N (CID 59249657) is tert-butyl 2-[(3-ethyl-3-methylpentylidene)amino]acetate.

What is the SMILES notation for DQUPMPZAXOAWIE-XNTDXEJSSA-N?

The canonical SMILES for DQUPMPZAXOAWIE-XNTDXEJSSA-N is CCC(C)(CC)C/C=N/CC(=O)OC(C)(C)C.

What is the InChIKey of DQUPMPZAXOAWIE-XNTDXEJSSA-N?

The InChIKey is DQUPMPZAXOAWIE-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H27NO2/c1-7-14(6,8-2)9-10-15-11-12(16)17-13(3,4)5/h10H,7-9,11H2,1-6H3/b15-10+.

What are the key properties of DQUPMPZAXOAWIE-XNTDXEJSSA-N?

DQUPMPZAXOAWIE-XNTDXEJSSA-N has a molecular weight of 241.37 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for DQUPMPZAXOAWIE-XNTDXEJSSA-N is sourced from PubChem (CID 59249657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 59249657 — identifiers, structure, computed properties (public domain)

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